Molecule FYI-1016504

A

Molecule Summary:

ID: FYI-1016504
Names:
InChIKey: CJOSNPUSLIDTIV-UHFFFAOYSA-P
SMILES: O=C(O)c5c[n+](C1CC1)c4cc([n+]3cc[n+](C(=O)c2c(O)c(Br)cc(Br)[c+]2=O)cc3)c(F)cc4[c+]5=O

Received at FYIcenter.com on: 2026-01-14

Molecule ID: FYI-1016504 Edit

Molecule Structure InChIKey: CJOSNPUSLIDTIV-UHFFFAOYSA-P

Molecule Structure SMILES String: O=C(O)c5c[n+](C1CC1)c4cc([n+]3cc[n+](C(=O)c2c(O)c(Br)cc(Br)[c+]2=O)cc3)c(F)cc4[c+]5=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016504
FYIcenter.com

 36 40  0  0  0  0  0  0  0  0999 V2000
   10.9121    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    1.4000    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
   14.5494    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    4.2000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   13.3369    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0369    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6369    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4001    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.1999    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.4871    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.5999    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0623    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.6998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2997    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
    1.2125    5.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    3.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.0997    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2996    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.6997    0.0000 O   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
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
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 15 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
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 22 25  1  0  0  0  0
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 25 27  1  0  0  0  0
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 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 27 32  1  0  0  0  0
 27 28  2  0  0  0  0
 32 33  1  0  0  0  0
 31 34  1  0  0  0  0
 29 35  1  0  0  0  0
 28 36  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016504-3D
FYIcenter.com

 51 55  0  0  1  0  0  0  0  0999 V2000
   10.6361   -0.3700    4.9839 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3362   -1.5156    5.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0140   -2.3098    6.0801 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1069   -2.0918    4.6706 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3617   -1.3893    3.7974 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1660   -1.8685    3.0969 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.4025   -0.8422    2.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9084   -0.8431    2.7237 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3573   -1.0793    1.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8167   -3.0874    3.3554 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9956   -4.1318    2.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5472   -5.1455    3.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7826   -6.5525    3.1320 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.4138   -7.0249    2.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6371   -8.3945    1.8617 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2621   -9.2882    2.8155 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.2905  -10.6961    2.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0078  -10.8678    1.2867 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6586  -11.8278    3.3542 C   0  0  3  0  0  3  0  0  0  0  0  0
    6.3907  -13.1854    2.9277 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2432  -13.3519    2.1888 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2950  -14.1618    3.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0872  -15.8959    2.4746 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.5243  -13.8779    3.8585 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7777  -12.6909    4.4348 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3704  -12.3194    5.3224 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.7885  -11.5824    4.2791 C   0  3  0  0  0  0  0  0  0  0  0  0
    7.8998  -10.4592    4.7637 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7701   -8.8247    3.9811 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5184   -7.4618    4.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2490   -4.7565    4.7659 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0707   -5.1066    5.3028 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2081   -4.1471    5.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2799   -3.6705    4.6457 C   0  0  3  0  0  3  0  0  0  0  0  0
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    9.2683   -4.2251    5.7442 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8648    0.1461    2.3517 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4476    0.1127    2.9716 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4273   -1.6669    3.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1563   -0.2658    0.6242 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1991   -2.0438    0.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2044   -4.1934    1.5174 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7750   -6.3317    1.2656 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1323   -8.7953    0.9758 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4626  -13.4336    2.7689 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2661  -14.6760    3.9132 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5375   -9.5314    4.7773 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1159   -7.1211    5.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1238   -3.8789    6.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3 37  1  0  0  0  0
  4  5  2  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
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  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 40  1  0  0  0  0
  8 41  1  0  0  0  0
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  9 43  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  2  0  0  0  0
 11 44  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
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 15 16  1  0  0  0  0
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 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  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 47  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 48  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  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  1  0  0  0  0
 31 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 51  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-02-02, 694👍, 0💬