Molecule FYI-1002514

A
Molecule Summary:
ID: FYI-1002514
Names:
InChIKey: RZLRSFIXGBWVLC-NSXAYWMGSA-N
SMILES: C#Cc1cc2/C=N/Cc3c(C)c4C/N=C\\c7cc(C#C)cc(/C=N/Cc6c(C)c(C/N=C\\c(c1)c2)c(C)c(C/N=C\\c5cc(C#C)cc(/C=N\\Cc(c3C)c4C)c5)c6C)c7
Received at FYIcenter.com on: 2023-04-05
Molecule ID: FYI-1002514 Edit
Molecule Structure InChIKey: RZLRSFIXGBWVLC-NSXAYWMGSA-N
Molecule Structure SMILES String: C#Cc1cc2/C=N/Cc3c(C)c4C/N=C\c7cc(C#C)cc(/C=N/Cc6c(C)c(C/N=C\c(c1)c2)c(C)c(C/N=C\c5cc(C#C)cc(/C=N\Cc(c3C)c4C)c5)c6C)c7
Download SDF Download SVG Structure in 2D SDF:
Image not available
FYI-1002514
FYIcenter.com

108114  0  0  0  0  0  0  0  0999 V2000
    6.7131    9.8366    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7645    8.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8636    7.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9191    6.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8480    6.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0912    6.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9627    4.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8260    4.0994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0618    6.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1609    5.9226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0618    7.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0308   11.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1314   11.7264    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8355    8.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9627    9.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6524   15.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7663   16.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5847   15.9294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3713   14.9973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9724   13.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8145   12.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1460   12.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4945   13.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7437   13.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5621   12.9201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1309    3.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3291    0.6346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2300    1.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1726    1.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0318    1.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2691    7.8262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2691    6.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3682    5.9226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9447   10.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0942   11.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3160   11.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7468   12.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0040   13.1300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0199    9.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2089    9.6799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4735    5.9194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5664    4.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4673    4.0189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4673    6.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4559    7.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4673    2.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5664    2.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    2.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    4.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7645    4.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0703    8.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2335    6.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1309    6.9802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9703    7.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792    6.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4695    8.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5915    7.5478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6671    8.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5207    9.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6031   10.4770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0807    7.7828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4116    9.0664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7459    7.8058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1159    3.5544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7930    4.7271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5506   10.6719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3197   10.2959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6701    8.5683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5230   14.2439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5530   13.4255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5265   11.6744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5679    7.8826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5947    9.7407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0243    5.6582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4125    5.6371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2009    9.4988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8344   12.4615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4957   11.7610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8059   10.1397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6346    5.4580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6315    9.6457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9627   10.9990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2318    9.7299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8780   12.1920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6609   11.2041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6379    5.6799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6757    2.1871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3682    2.1152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0318    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4282    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3093    3.7229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7955    7.0216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2600    5.2880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6539    4.8971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5973    3.5544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1681    4.6166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4204    4.8603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    5.2880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1245    6.9545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4481    8.4511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1407    7.2579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8114   13.1440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7487   14.5501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3536   10.8865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6773   13.6483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9478   17.8693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0832   16.3771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14  3  1  0  0  0  0
 38 21  2  0  0  0  0
 43 46  2  0  0  0  0
 31 56  2  0  0  0  0
 13 25  2  0  0  0  0
  8 50  2  0  0  0  0
  1 60  2  0  0  0  0
 16 24  1  0  0  0  0
 19 16  2  0  0  0  0
 18 17  3  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 22 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 36 39  2  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 41 44  2  0  0  0  0
 44 45  1  0  0  0  0
 44 33  1  0  0  0  0
 25 24  1  0  0  0  0
 26 49  1  0  0  0  0
 29 26  2  0  0  0  0
 28 27  3  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 47 30  2  0  0  0  0
 47 46  1  0  0  0  0
 48 47  1  0  0  0  0
 49 48  2  0  0  0  0
 50 49  1  0  0  0  0
 51 59  1  0  0  0  0
 54 51  2  0  0  0  0
 53 52  3  0  0  0  0
 54 53  1  0  0  0  0
 60 59  1  0  0  0  0
 59 58  2  0  0  0  0
 58 57  1  0  0  0  0
 57 56  1  0  0  0  0
 57 55  2  0  0  0  0
 55 54  1  0  0  0  0
 45 61  1  0  0  0  0
 45 62  1  0  0  0  0
 45 63  1  0  0  0  0
 42 64  1  0  0  0  0
 60 71  1  0  0  0  0
 58 72  1  0  0  0  0
 56 73  1  0  0  0  0
 55 74  1  0  0  0  0
 52 75  1  0  0  0  0
 51 76  1  0  0  0  0
 42 65  1  0  0  0  0
 40 66  1  0  0  0  0
 40 67  1  0  0  0  0
 40 68  1  0  0  0  0
 37 69  1  0  0  0  0
 37 70  1  0  0  0  0
 35 77  1  0  0  0  0
 35 78  1  0  0  0  0
 35 79  1  0  0  0  0
 32 80  1  0  0  0  0
 50 87  1  0  0  0  0
 48 88  1  0  0  0  0
 46 89  1  0  0  0  0
 30 90  1  0  0  0  0
 27 91  1  0  0  0  0
 26 92  1  0  0  0  0
 32 81  1  0  0  0  0
 15 82  1  0  0  0  0
 15 83  1  0  0  0  0
 15 84  1  0  0  0  0
 12 85  1  0  0  0  0
 12 86  1  0  0  0  0
 10 93  1  0  0  0  0
 10 94  1  0  0  0  0
 10 95  1  0  0  0  0
  7 96  1  0  0  0  0
 25103  1  0  0  0  0
 23104  1  0  0  0  0
 21105  1  0  0  0  0
 20106  1  0  0  0  0
 17107  1  0  0  0  0
 16108  1  0  0  0  0
  7 97  1  0  0  0  0
  5 98  1  0  0  0  0
  5 99  1  0  0  0  0
  5100  1  0  0  0  0
  2101  1  0  0  0  0
  2102  1  0  0  0  0
M  END
$$$$
Molecule Structure in 3D: Not available
✍: FYIcenter.com
2023-04-13, 1599👍, 0💬