Molecule FYI-1016476

A

Molecule Summary:

ID: FYI-1016476
Names:
InChIKey: RIRIEMAUGKBIOX-UHFFFAOYSA-Q
SMILES: O=C(O)c5c[n+](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: 2026-01-11

Molecule ID: FYI-1016476 Edit

Molecule Structure InChIKey: RIRIEMAUGKBIOX-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)c(F)cc4[c+]5=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016476
FYIcenter.com

 36 40  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
   14.5493    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    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
   15.7618    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    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
   14.0368    0.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4241    6.1773    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8496    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  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
  1  7  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  7 15  1  0  0  0  0
 16 17  1  0  0  0  0
 15 17  1  0  0  0  0
 15 16  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 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
 25 36  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016476-3D
FYIcenter.com

 52 56  0  0  1  0  0  0  0  0999 V2000
    9.8660   -5.4033    2.6846 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3995   -6.2377    1.9305 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8828   -7.4718    1.7747 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2418   -5.9011    1.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7039   -4.6579    1.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6424   -4.1417    0.2775 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0346   -2.8885    0.7181 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5055   -2.9665    0.8015 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1569   -1.9797   -0.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2064   -4.9490   -0.6362 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5782   -4.7025   -2.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0538   -5.8452   -2.5591 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5284   -6.4506   -3.7939 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.4534   -5.8755   -4.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9591   -6.5631   -5.7225 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5457   -7.8287   -6.0198 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.0015   -8.4427   -7.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9482   -7.8571   -7.7790 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3436   -9.5691   -7.9811 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9519   -9.5782   -8.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2170   -8.5639   -7.5539 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3246  -10.5745   -8.8805 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4373  -10.6379   -9.0024 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.0857  -11.5241   -9.5605 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4780  -11.4890   -9.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4996  -12.7409  -10.4421 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.1053  -10.5300   -8.6544 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4629  -10.5175   -8.4972 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7111   -8.4438   -5.1673 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1827   -7.7539   -4.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4178   -6.7409   -1.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1753   -7.1888   -1.8213 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1524   -7.1630   -0.5512 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3615   -6.4068   -0.3731 C   0  0  3  0  0  3  0  0  0  0  0  0
    7.5955   -6.8948    0.2168 C   0  3  0  0  0  0  0  0  0  0  0  0
    8.0477   -7.9928   -0.0568 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4584   -8.1062    1.1553 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1211   -3.9467    1.8543 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5164   -2.4083    1.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0337   -2.6136    1.7163 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9356   -3.7645    0.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0787   -0.9369    0.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0539   -2.0867   -1.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9913   -3.8643   -2.5741 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8316   -4.8832   -4.3841 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6904   -6.1072   -6.3838 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3545   -8.5481   -8.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6009  -12.2763  -10.1825 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8636  -11.1232   -9.1592 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4693   -9.4969   -5.3258 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5111   -8.2909   -3.4013 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8136   -7.8859    0.1810 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 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
  5 38  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 39  1  0  0  0  0
  8  9  1  0  0  0  0
  8 40  1  0  0  0  0
  8 41  1  0  0  0  0
  9 42  1  0  0  0  0
  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
 14 45  1  0  0  0  0
 15 16  1  0  0  0  0
 15 46  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 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

2026-02-02, 775👍, 0💬