Molecule FYI-1016530

A

Molecule Summary:

ID: FYI-1016530
Names:
InChIKey: MLXFNEYCKFPCHT-UHFFFAOYSA-Q
SMILES: O=C(O)c5c[n+](C1CC1)c4cc([n+]3cc[n+](C(=O)c2c(O)c(Br)cc(Br)c2O)cc3)ccc4[c+]5=O

Received at FYIcenter.com on: 2026-01-18

Molecule ID: FYI-1016530 Edit

Molecule Structure InChIKey: MLXFNEYCKFPCHT-UHFFFAOYSA-Q

Molecule Structure SMILES String: O=C(O)c5c[n+](C1CC1)c4cc([n+]3cc[n+](C(=O)c2c(O)c(Br)cc(Br)c2O)cc3)ccc4[c+]5=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016530
FYIcenter.com

 35 39  0  0  0  0  0  0  0  0999 V2000
   13.3378    1.4000    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
   12.1253    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1253    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3378    4.2000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.5502    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5502    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9129    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7004    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7004    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9129    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7626    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3380    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7626    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9751    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3380    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4880    4.2000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.4880    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2755    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0631    5.6000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0631    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2755    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8507    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8507    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6382    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4258    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4258    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6382    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4258    2.1000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8507    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2984    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4258    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0381    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6381    6.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  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
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  2 10  1  0  0  0  0
  3  7  1  0  0  0  0
  6 11  1  0  0  0  0
  1 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
  4 15  1  0  0  0  0
  8 16  1  0  0  0  0
 17 18  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
 16 17  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 25 26  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
 24 25  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 26 32  1  0  0  0  0
 25 33  1  0  0  0  0
 34 35  1  0  0  0  0
 15 35  1  0  0  0  0
 15 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016530-3D
FYIcenter.com

 52 56  0  0  1  0  0  0  0  0999 V2000
    9.7363   -6.2465   -0.1898 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2083   -6.6005   -1.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6463   -7.6358   -1.9750 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0604   -5.8689   -1.7759 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5876   -4.7727   -1.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5458   -3.8778   -1.6197 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.9528   -2.9878   -0.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4197   -3.0789   -0.5981 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0891   -1.7850   -0.8961 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0753   -4.1449   -2.7951 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4361   -3.2624   -3.8783 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8270   -4.0159   -4.8428 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3015   -4.0832   -6.2174 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.2821   -3.2851   -6.7302 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7762   -3.4974   -8.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2852   -4.4931   -8.8139 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.7052   -4.5731  -10.2167 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6844   -3.8912  -10.4745 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9789   -5.2912  -11.2942 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875   -5.1774  -11.3785 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9238   -4.3946  -10.4635 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8872   -5.8269  -12.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9957   -5.7820  -12.4358 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.5752   -6.5245  -13.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9690   -6.5853  -13.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8918   -7.4849  -14.7297 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.6709   -5.9889  -12.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0296   -6.0933  -12.1953 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3997   -5.3541   -8.2757 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8833   -5.1293   -7.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1220   -5.2056   -4.3238 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8693   -6.0877   -3.6448 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1462   -5.5620   -3.2385 C   0  0  3  0  0  3  0  0  0  0  0  0
    7.3414   -6.3355   -2.9628 C   0  3  0  0  0  0  0  0  0  0  0  0
    7.7183   -7.2264   -3.7037 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1679   -7.8917   -2.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0502   -4.4869   -0.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4330   -2.9932    0.3560 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9412   -3.2208    0.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8455   -3.5333   -1.3988 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0111   -1.0292   -0.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0068   -1.3531   -1.8817 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9195   -2.3009   -4.0247 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7043   -2.4941   -6.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5545   -2.8595   -8.4479 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0588   -4.1615  -10.8804 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0318   -7.0092  -14.2017 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3812   -6.4418  -13.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0906   -6.2208   -8.8570 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1546   -5.8379   -6.6148 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0644   -5.3517   -4.5357 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4964   -7.0235   -3.2404 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  4  1  0  0  0  0
  3 36  1  0  0  0  0
  4  5  2  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  8 39  1  0  0  0  0
  8 40  1  0  0  0  0
  9 41  1  0  0  0  0
  9 42  1  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  2  0  0  0  0
 11 43  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  2  0  0  0  0
 14 15  2  0  0  0  0
 14 44  1  0  0  0  0
 15 16  1  0  0  0  0
 15 45  1  0  0  0  0
 16 17  1  0  0  0  0
 16 29  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 46  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 47  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 48  1  0  0  0  0
 29 30  1  0  0  0  0
 29 49  1  0  0  0  0
 30 50  1  0  0  0  0
 31 32  2  0  0  0  0
 31 51  1  0  0  0  0
 32 33  1  0  0  0  0
 32 52  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-04-13, 644👍, 0💬