Molecule FYI-1015846

A

Molecule Summary:

ID: FYI-1015846
Names:
InChIKey: IPTNVXOTJIPYMU-GFMRDNFCSA-N
SMILES: c5ccc(ON=c3c1ccccc1c4nc2ccccc2nc34)cc5

Received at FYIcenter.com on: 2025-10-21

Molecule ID: FYI-1015846 Edit

Molecule Structure InChIKey: IPTNVXOTJIPYMU-GFMRDNFCSA-N

Molecule Structure SMILES String: c5ccc(ON=c3c1ccccc1c4nc2ccccc2nc34)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1015846
FYIcenter.com

 25 29  0  0  0  0  0  0  0  0999 V2000
   10.0799    8.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8675    9.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6551    8.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6551    7.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4427    6.4272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2302    7.1272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0177    6.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    6.9965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3061    8.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9367    8.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    6.2473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    5.9562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5020    4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    3.4122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0061    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5735    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5104    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8797    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3123    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3756    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8082    3.9944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8714    5.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8675    6.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0799    7.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 21 16  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 14  1  0  0  0  0
 23  7  1  0  0  0  0
 24  4  1  0  0  0  0
 25 24  2  0  0  0  0
 25  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015846-3D
FYIcenter.com

 38 42  0  0  0  0  0  0  0  0999 V2000
    0.4530    0.0097    0.4282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4756   -0.9362    0.8976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8612   -0.7602    0.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3342    0.3722    0.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6715    0.6598   -0.1793 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5311   -0.4058    0.2192 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7281   -0.2539   -0.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2940    0.8482   -1.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2296    2.1992   -0.7608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4246    2.9132   -0.7598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6278    2.2586   -1.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6230    0.9418   -1.5522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4082    0.2436   -1.6676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2182   -1.2280   -1.5831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1272   -2.0624   -2.1046 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0241   -2.5105   -1.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0751   -3.2606   -1.7367 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3152   -3.1929   -1.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4289   -2.4074    0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2789   -1.8836    0.6448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9900   -2.0138    0.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7862   -1.5158    0.6120 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7610   -1.3693   -0.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4022    1.3180   -0.4254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0222    1.1447   -0.2334 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5111   -0.1343    0.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1300   -1.8253    1.4045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5412   -1.5257    1.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3154    2.6483   -0.3919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4380    3.9435   -0.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5717    2.7485   -0.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5772    0.4176   -1.6185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9544   -3.7847   -2.6837 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1706   -3.6751   -1.5795 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4266   -2.1654    0.3854 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4090   -1.2511    1.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7517    2.2035   -0.9521 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6833    1.8868   -0.6060 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  2  0  0  0  0
  1 26  1  0  0  0  0
  2  3  2  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  3  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  2  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  2  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  2  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  2  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 20 36  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 37  1  0  0  0  0
 25 38  1  0  0  0  0
M  END
$$$$

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2025-10-24, 396👍, 0💬