Molecule FYI-1007954

A

Molecule Summary:

ID: FYI-1007954
Names:
InChIKey: UNUWFIDERHZUHS-UHFFFAOYSA-N
SMILES: c7ccc(Cc6ccc5cc4cc3cc2cc1ccccc1cc2cc3cc4cc5c6)cc7

Received at FYIcenter.com on: 2024-03-21

Molecule ID: FYI-1007954 Edit

Molecule Structure InChIKey: UNUWFIDERHZUHS-UHFFFAOYSA-N

Molecule Structure SMILES String: c7ccc(Cc6ccc5cc4cc3cc2cc1ccccc1cc2cc3cc4cc5c6)cc7

Download SDF Download SVG Structure in 2D SDF:

FYI-1007954
FYIcenter.com

 33 39  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    6.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6370    7.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0618    7.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0617    8.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8492    9.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369    8.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2741    9.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2740   10.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0615   11.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8491   10.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4864   11.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4862   12.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2737   13.3005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614   12.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6986   13.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6985   14.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4860   15.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2736   14.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9109   15.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9108   16.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6983   17.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4859   16.8006    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
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 11 14  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
 15 18  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 20 25  1  0  0  0  0
 19 22  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 24 29  1  0  0  0  0
 23 26  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 28 33  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007954-3D
FYIcenter.com

 55 61  0  0  0  0  0  0  0  0999 V2000
    1.4157   -0.1852   -0.8042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5473   -0.1041   -1.8821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8248    0.0762   -1.6807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3585    0.1724   -0.3878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8334    0.3847   -0.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6852   -0.8625   -0.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3774   -1.2256    1.1035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4118   -2.2064    1.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6071   -2.9732   -0.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4315   -4.0959   -0.5593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7448   -5.3473   -0.8959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0460   -6.7285   -1.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5278   -7.7001   -0.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8120   -9.0776    0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0850   -9.3791    0.5149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7031  -10.6224    0.6372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0142  -10.7047    0.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6901  -11.9222    0.1567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8747  -12.4695   -1.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0107  -11.5776   -2.1691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9004  -10.1751   -1.9296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3926   -9.6783   -0.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9536   -8.3796   -0.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8418   -8.2832    0.7199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9813   -7.2608    1.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5945   -7.0700    0.9185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6611   -5.9780    0.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5333   -5.2929   -0.3624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8408   -4.1732   -0.9213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4801   -2.9305   -0.8981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8201   -1.7210   -1.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655    0.0713    0.7099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9049   -0.1036    0.5146 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4767   -0.3199   -0.9459 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9476   -0.1820   -2.8894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4773    0.1427   -2.5476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2278    1.0119   -0.9633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9661    0.9949    0.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0805   -0.7976    2.0597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8712   -2.5317    1.9697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5053   -4.0683   -0.4176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8554   -7.0062   -1.8401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0104   -9.7941    0.1899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1377  -11.5247    0.8262 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7057  -11.8005    0.6105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9764  -13.5481   -1.2025 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1882  -11.9775   -3.1638 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0193   -9.5198   -2.7921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2530   -7.4961   -0.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3390   -6.7968    2.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1272   -5.6555    1.7973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1937   -4.3409   -1.7838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3283   -1.5321   -2.0865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8514    0.1529    1.7207 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5576   -0.1582    1.3633 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  2  0  0  0  0
  1 34  1  0  0  0  0
  2  3  2  0  0  0  0
  2 35  1  0  0  0  0
  3  4  1  0  0  0  0
  3 36  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  2  0  0  0  0
  5  6  1  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  2  0  0  0  0
  7  8  2  0  0  0  0
  7 39  1  0  0  0  0
  8  9  1  0  0  0  0
  8 40  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  2  0  0  0  0
 10 11  2  0  0  0  0
 10 41  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  2  0  0  0  0
 12 42  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  2  0  0  0  0
 14 43  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 16 17  2  0  0  0  0
 16 44  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  2  0  0  0  0
 18 45  1  0  0  0  0
 19 20  1  0  0  0  0
 19 46  1  0  0  0  0
 20 21  2  0  0  0  0
 20 47  1  0  0  0  0
 21 22  1  0  0  0  0
 21 48  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 49  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 50  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 51  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 52  1  0  0  0  0
 30 31  1  0  0  0  0
 31 53  1  0  0  0  0
 32 33  1  0  0  0  0
 32 54  1  0  0  0  0
 33 55  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-04-14, 1527👍, 0💬