Molecule FYI-1016114

A

Molecule Summary:

ID: FYI-1016114
Names:
InChIKey: HXJSTOXKASOAQW-BYYHNAKLSA-N
SMILES: O=C(Nc1ccccc1)c4cc2ccccc2c(/N=N/c3cc(Cl)ccc3Cl)c4O

Received at FYIcenter.com on: 2025-11-20

Molecule ID: FYI-1016114 Edit

Molecule Structure InChIKey: HXJSTOXKASOAQW-BYYHNAKLSA-N

Molecule Structure SMILES String: O=C(Nc1ccccc1)c4cc2ccccc2c(/N=N/c3cc(Cl)ccc3Cl)c4O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016114
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
   10.9119   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 Cl  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
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 10  1  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
 29 27  1  0  0  0  0
 30 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016114-3D
FYIcenter.com

 45 48  0  0  0  0  0  0  0  0999 V2000
    1.5072   -0.5626    0.2170 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5197   -0.1252   -0.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0251   -0.5598   -1.5288 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5073   -1.6243   -2.2957 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2210   -2.1486   -2.1334 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8037   -3.2592   -2.8721 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6693   -3.8529   -3.7833 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9419   -3.3197   -3.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3520   -2.1978   -3.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2707    0.9649    0.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8481    1.2080    1.6777 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1649    2.4059    2.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6034    2.6364    3.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608    3.9411    4.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0587    4.9730    3.3091 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8761    4.6852    2.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9239    3.3854    1.6607 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6311    3.0028    0.4841 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6839    3.7966   -0.0691 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5330    4.0221    0.8264 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7036    4.7194    0.4412 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1896    4.7448   -0.8755 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4310    5.3211   -1.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0213    5.2966   -2.7848 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.2104    5.8929   -0.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7357    5.9094    1.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4935    5.3312    1.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9685    5.3868    3.0893 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2453    1.8061   -0.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8235    1.4854   -1.3815 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9139   -0.1586   -1.8152 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5074   -1.7057   -1.4419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1981   -3.6542   -2.7254 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3531   -4.7306   -4.3385 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6243   -3.7875   -4.6759 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3541   -1.8086   -3.4017 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1422    0.5293    2.1537 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2037    1.8184    4.1745 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8473    4.1458    4.8934 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8981    6.0019    3.6171 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3961    5.5053    1.7206 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6144    4.2934   -1.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1862    6.3191   -0.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3402    6.3575    1.9288 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4914    2.1761   -1.5625 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  2  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  8 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  2  0  0  0  0
 11 12  2  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  2  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 27  2  0  0  0  0
 22 23  2  0  0  0  0
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 43  1  0  0  0  0
 26 27  1  0  0  0  0
 26 44  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 45  1  0  0  0  0
M  END
$$$$

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