Molecule FYI-1016475

A

Molecule Summary:

ID: FYI-1016475
Names:
InChIKey: FPRNHALCWZMITN-UHFFFAOYSA-Q
SMILES: O=C(O)c5c[n+](C1CC1)c4cc([n+]3cc[n+](Oc2c(O)c(Br)cc(Br)c2O)cc3)c(F)cc4[c+]5=O

Received at FYIcenter.com on: 2026-01-11

Molecule ID: FYI-1016475 Edit

Molecule Structure InChIKey: FPRNHALCWZMITN-UHFFFAOYSA-Q

Molecule Structure SMILES String: O=C(O)c5c[n+](C1CC1)c4cc([n+]3cc[n+](Oc2c(O)c(Br)cc(Br)c2O)cc3)c(F)cc4[c+]5=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016475
FYIcenter.com

 35 39  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
   13.3368    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6368    0.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 31 32  1  0  0  0  0
 27 33  1  0  0  0  0
 28 34  1  0  0  0  0
 30 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016475-3D
FYIcenter.com

 51 55  0  0  1  0  0  0  0  0999 V2000
   10.1360   -4.2869    4.2812 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5984   -5.2979    3.9056 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0819   -6.5191    4.1438 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3990   -5.2507    3.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9160   -4.0476    2.6534 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8548   -3.8504    1.6743 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.2620   -2.5107    1.6701 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7421   -2.5317    1.8846 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3185   -1.9458    0.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3964   -4.9207    1.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7599   -5.2173   -0.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0102   -6.3646   -0.2929 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4871   -7.6243   -0.9066 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.6348   -8.7015   -0.7945 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1276   -9.9931   -0.6589 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4396  -10.2134   -0.8037 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.7997  -11.5632   -0.6710 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0600  -11.9327   -0.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8306  -11.2777    0.6868 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2812  -10.2013    1.3380 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1158  -11.7503    0.9928 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2482  -10.7700    2.1505 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.5926  -12.9316    0.4186 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7750  -13.6475   -0.4554 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3823  -15.2874   -1.1744 Br  0  0  0  0  0  0  0  0  0  0  0  0
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 29 50  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 51  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-02-02, 170👍, 0💬