Molecule FYI-1002647

A

Molecule Summary:

ID: FYI-1002647
Names:
InChIKey: UUGDYBJZHFSAJD-WQKNRVTRSA-L
SMILES: CNc4ccc(/N=[N+]/2c1cc(C)ccc1O[Fe]2(Cl)c3ccccc3)cc4

Received at FYIcenter.com on: 2023-04-17

Molecule ID: FYI-1002647 Edit

Molecule Structure InChIKey: UUGDYBJZHFSAJD-WQKNRVTRSA-L

Molecule Structure SMILES String: CNc4ccc(/N=[N+]/2c1cc(C)ccc1O[Fe]2(Cl)c3ccccc3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1002647
FYIcenter.com

 26 29  0  0  0  0  0  0  0  0999 V2000
    8.3355    1.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3355    2.7235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1146    3.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1146    4.8381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8938    5.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6729    4.8381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4914    5.4413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2311    4.8381    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.9432    5.4115    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    0.6502    6.7905    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0389    6.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2762    5.9969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4505    6.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2300    8.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9139    8.5783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8183    7.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7049    3.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2692    1.8022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5914    1.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5347    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0271    2.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0838    3.4361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6729    3.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8938    2.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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  1  0  0  0  0
 11  9  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 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17  9  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 21  1  0  0  0  0
 24 23  2  0  0  0  0
 24 18  1  0  0  0  0
 24  8  1  0  0  0  0
 25  6  1  0  0  0  0
 26 25  2  0  0  0  0
 26  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002647-3D
FYIcenter.com

 45 48  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Fe  0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  3 26  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  1  0  0  0
  6 25  2  0  0  0  0
  7  8  2  0  0  0  0
  8 17  1  6  0  0  0
  8  9  1  1  0  0  0
  9 15  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  2  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 24  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 39  1  0  0  0  0
 21 22  1  0  0  0  0
 21 40  1  0  0  0  0
 22 23  2  0  0  0  0
 22 41  1  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 26  1  0  0  0  0
 25 44  1  0  0  0  0
 26 45  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 431👍, 0💬