Molecule FYI-1016525

A

Molecule Summary:

ID: FYI-1016525
Names:
InChIKey: MYFNHAIEAPQATO-UHFFFAOYSA-P
SMILES: O=C(O)c5cc(C1CC1)c4cc([n+]3cc[n+](C(=O)c2c(O)c(Br)cc(Br)c2O)cc3)c(F)cc4[c+]5=O

Received at FYIcenter.com on: 2026-01-15

Molecule ID: FYI-1016525 Edit

Molecule Structure InChIKey: MYFNHAIEAPQATO-UHFFFAOYSA-P

Molecule Structure SMILES String: O=C(O)c5cc(C1CC1)c4cc([n+]3cc[n+](C(=O)c2c(O)c(Br)cc(Br)c2O)cc3)c(F)cc4[c+]5=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016525
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 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
   13.3369    5.6000    0.0000 C   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    1.4001    0.0000 F   0  0  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
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    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
    2.4250    2.0997    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    3.4998    0.0000 O   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
   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
  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
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  7  8  2  0  0  0  0
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  9 10  2  0  0  0  0
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  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 10 15  1  0  0  0  0
  3 16  1  0  0  0  0
  2 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 21 22  2  0  0  0  0
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 28 29  1  0  0  0  0
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 29 31  1  0  0  0  0
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 30 33  1  0  0  0  0
 27 34  1  0  0  0  0
 35 36  1  0  0  0  0
 15 36  1  0  0  0  0
 15 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016525-3D
FYIcenter.com

 52 56  0  0  1  0  0  0  0  0999 V2000
    1.8959   -4.6014   -1.2158 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1011   -4.5787   -1.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8552   -5.6911   -0.9746 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8310   -3.3236   -0.7527 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1954   -2.1751   -1.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6665   -0.8586   -0.6489 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7675    0.2827   -0.9341 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0628    0.8562    0.2845 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2694    0.2057   -0.8026 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8427   -0.7545    0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4143    0.5475    0.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6338    0.6523    0.9007 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2986    1.8989    0.7865 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.0726    2.3988    1.7804 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8256    3.5593    1.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8108    4.1592    0.3388 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.7325    5.2202   -0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3871    5.8967   -0.9860 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0687    5.3708    0.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8531    4.2282    0.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3717    3.0138    0.3153 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1096    4.3408    1.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1119    2.7914    1.7497 Br  0  0  0  0  0  0  0  0  0  0  0  0
   13.6126    5.6057    1.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8497    6.7424    1.4209 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5633    8.4401    1.8509 Br  0  0  0  0  0  0  0  0  0  0  0  0
   11.5647    6.6296    0.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7613    7.7144    0.7052 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2314    2.5624   -0.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4082   -0.3981    2.1600 F   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2385   -2.2147   -1.5681 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4540    3.9811    2.3363 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1563    2.4296    0.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6524    2.1340   -1.2172 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3332   -2.6838    1.5330 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  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
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  8  9  1  0  0  0  0
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  8 41  1  0  0  0  0
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  9 43  1  0  0  0  0
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 10 34  1  0  0  0  0
 11 12  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  2  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  1  0  0  0  0
 28 49  1  0  0  0  0
 29 30  1  0  0  0  0
 29 50  1  0  0  0  0
 30 51  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 52  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-04-13, 372👍, 0💬