Molecule FYI-1002040

A

Molecule Summary:

ID: FYI-1002040
Names:
InChIKey: XOCRCGAZACGQGE-UHFFFAOYSA-N
SMILES: C=Nc7ccc(c5c(c1ccc(N=C)cc1)c(c2ccc(N=C)cc2)c(c3ccc(N=C)cc3)c(c4ccc(N=C)cc4)c5c6ccc(N=C)cc6)cc7

Received at FYIcenter.com on: 2023-01-21

Molecule ID: FYI-1002040 Edit

Molecule Structure InChIKey: XOCRCGAZACGQGE-UHFFFAOYSA-N

Molecule Structure SMILES String: C=Nc7ccc(c5c(c1ccc(N=C)cc1)c(c2ccc(N=C)cc2)c(c3ccc(N=C)cc3)c(c4ccc(N=C)cc4)c5c6ccc(N=C)cc6)cc7

Download SDF Download SVG Structure in 2D SDF:

FYI-1002040
FYIcenter.com

 54 60  0  0  0  0  0  0  0  0999 V2000
   14.5494   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   14.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 16  9  1  0  0  0  0
 17  8  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 21  1  0  0  0  0
 25 24  2  0  0  0  0
 25 18  1  0  0  0  0
 26 17  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 30  1  0  0  0  0
 34 33  2  0  0  0  0
 34 27  1  0  0  0  0
 35 26  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 38 37  1  0  0  0  0
 39 38  2  0  0  0  0
 40 39  1  0  0  0  0
 41 40  2  0  0  0  0
 42 39  1  0  0  0  0
 43 42  2  0  0  0  0
 43 36  1  0  0  0  0
 44 35  2  0  0  0  0
 44  7  1  0  0  0  0
 45 44  1  0  0  0  0
 46 45  2  0  0  0  0
 47 46  1  0  0  0  0
 48 47  2  0  0  0  0
 49 48  1  0  0  0  0
 50 49  2  0  0  0  0
 51 48  1  0  0  0  0
 52 51  2  0  0  0  0
 52 45  1  0  0  0  0
 53  6  1  0  0  0  0
 54 53  2  0  0  0  0
 54  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002040-3D
FYIcenter.com

 90 96  0  0  0  0  0  0  0  0999 V2000
    1.3666   -0.1516    0.6375 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4842   -0.2255   -0.0013 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0190    0.9188   -0.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6941    2.2271   -0.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1787    3.3203   -0.9916 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1562    3.1670   -1.9907 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7733    4.3605   -2.6781 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4170    5.3521   -1.8171 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3558    5.2341   -0.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7344    4.0560    0.3791 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6125    3.9209    1.7698 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2856    5.0131    2.5713 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1898    4.9690    3.9735 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8737    4.1086    4.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9826    6.2143    1.9319 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9488    6.3041    0.5297 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1021    6.4685   -2.4097 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8156    7.4701   -1.5117 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7166    7.0139   -0.5290 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4038    7.8858    0.3175 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3864    9.2572    0.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1775   10.1777    0.8005 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2837    9.7857    1.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5136    9.7380   -0.8893 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6762    8.8669   -1.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2369    6.5341   -3.8557 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8013    7.8014   -4.4556 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0683    8.3008   -4.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5843    9.4998   -4.5899 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9511   10.1601   -5.6346 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4588   11.3371   -6.2479 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6940   11.6613   -6.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7346    9.6485   -6.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    8.5288   -5.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7938    5.4190   -4.7092 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4428    5.2315   -6.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3297    6.1496   -6.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5929    6.2550   -8.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1817    5.2596   -8.9437 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4186    5.3031  -10.3267 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5768    5.7202  -10.7171 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5589    4.1624   -8.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2671    4.1255   -6.9758 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8052    4.4775   -4.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917    3.6799   -5.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5145    4.0197   -6.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9426    3.1078   -7.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4844    1.8574   -6.9067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9291    0.8828   -7.7551 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5041    0.6001   -8.8721 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4560    1.6373   -5.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0266    2.5691   -4.6594 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5809    1.8445   -2.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9571    0.7418   -1.6427 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9534   -1.0533    1.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7624    0.7645    0.7531 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0716    2.4352    0.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8474    4.3138   -0.6950 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0674    3.1837   -0.1783 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7651    2.9364    2.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7830    4.0821    5.7403 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5629    3.3678    4.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7633    7.0966    2.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6602    7.2594    0.0942 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8609    5.9490   -0.3647 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9596    7.4583    1.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035   10.5074    1.8928 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6780    8.7560    1.2924 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4958   10.8032   -1.1107 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9967    9.3058   -2.3440 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6615    7.7840   -3.3285 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4871    9.8937   -4.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0468   12.5803   -6.6322 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4590   11.0930   -5.5837 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2515   10.1008   -6.9471 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1823    8.1657   -5.8652 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8927    6.8627   -6.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1322    7.1293   -8.4399 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8085    5.7795  -11.7908 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3848    6.0307  -10.0297 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2751    3.3246   -8.9952 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8425    3.1998   -6.5983 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8253    4.9854   -6.7790 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8913    3.3857   -8.3582 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0689   -0.1782   -9.5204 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4287    1.0802   -9.2405 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9891    0.7397   -5.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7879    2.3495   -3.6329 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3237    1.6550   -3.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1984   -0.2665   -1.9754 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 55  1  0  0  0  0
  1 56  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 54  2  0  0  0  0
  4  5  2  0  0  0  0
  4 57  1  0  0  0  0
  5  6  1  0  0  0  0
  5 58  1  0  0  0  0
  6  7  1  0  0  0  0
  6 53  2  0  0  0  0
  7  8  1  0  0  0  0
  7 44  2  0  0  0  0
  8  9  1  0  0  0  0
  8 17  2  0  0  0  0
  9 10  1  0  0  0  0
  9 16  2  0  0  0  0
 10 11  2  0  0  0  0
 10 59  1  0  0  0  0
 11 12  1  0  0  0  0
 11 60  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  2  0  0  0  0
 14 61  1  0  0  0  0
 14 62  1  0  0  0  0
 15 16  1  0  0  0  0
 15 63  1  0  0  0  0
 16 64  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  2  0  0  0  0
 19 20  2  0  0  0  0
 19 65  1  0  0  0  0
 20 21  1  0  0  0  0
 20 66  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  2  0  0  0  0
 22 23  2  0  0  0  0
 23 67  1  0  0  0  0
 23 68  1  0  0  0  0
 24 25  1  0  0  0  0
 24 69  1  0  0  0  0
 25 70  1  0  0  0  0
 26 27  1  0  0  0  0
 26 35  2  0  0  0  0
 27 28  1  0  0  0  0
 27 34  2  0  0  0  0
 28 29  2  0  0  0  0
 28 71  1  0  0  0  0
 29 30  1  0  0  0  0
 29 72  1  0  0  0  0
 30 31  1  0  0  0  0
 30 33  2  0  0  0  0
 31 32  2  0  0  0  0
 32 73  1  0  0  0  0
 32 74  1  0  0  0  0
 33 34  1  0  0  0  0
 33 75  1  0  0  0  0
 34 76  1  0  0  0  0
 35 36  1  0  0  0  0
 35 44  1  0  0  0  0
 36 37  1  0  0  0  0
 36 43  2  0  0  0  0
 37 38  2  0  0  0  0
 37 77  1  0  0  0  0
 38 39  1  0  0  0  0
 38 78  1  0  0  0  0
 39 40  1  0  0  0  0
 39 42  2  0  0  0  0
 40 41  2  0  0  0  0
 41 79  1  0  0  0  0
 41 80  1  0  0  0  0
 42 43  1  0  0  0  0
 42 81  1  0  0  0  0
 43 82  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 52  2  0  0  0  0
 46 47  2  0  0  0  0
 46 83  1  0  0  0  0
 47 48  1  0  0  0  0
 47 84  1  0  0  0  0
 48 49  1  0  0  0  0
 48 51  2  0  0  0  0
 49 50  2  0  0  0  0
 50 85  1  0  0  0  0
 50 86  1  0  0  0  0
 51 52  1  0  0  0  0
 51 87  1  0  0  0  0
 52 88  1  0  0  0  0
 53 54  1  0  0  0  0
 53 89  1  0  0  0  0
 54 90  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-01-22, 3000👍, 0💬