Molecule FYI-1014312

A

Molecule Summary:

ID: FYI-1014312
Names:
InChIKey: NEVIPOLDTUXKSU-UHFFFAOYSA-N
SMILES: NC3=NC(c1ccccc1)(c2ccncc2)c4ccccc34

Received at FYIcenter.com on: 2025-03-29

Molecule ID: FYI-1014312 Edit

Molecule Structure InChIKey: NEVIPOLDTUXKSU-UHFFFAOYSA-N

Molecule Structure SMILES String: NC3=NC(c1ccccc1)(c2ccncc2)c4ccccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1014312
FYIcenter.com

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.2475    2.3284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2719    3.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9477    1.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2920    1.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6652    3.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8410    2.3758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4269    0.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5944    1.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2846    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2544    4.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0741    5.2491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3017    5.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3747    6.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5029    7.8473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4552    3.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0308    2.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8781    4.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8217    5.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5820    6.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7348    5.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  3  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  4  8  2  0  0  0  0
  8  9  1  0  0  0  0
  7  9  2  0  0  0  0
  3 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 15 12  2  0  0  0  0
 14 16  2  0  0  0  0
 16 15  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
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014312-3D
FYIcenter.com

 37 40  0     1  0  0  0  0  0999 V2000
    0.3936    0.1571   -1.7755 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4563    0.5678   -2.8775 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0004    3.1642    0.2598 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0730    0.0148   -0.3359 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2169    0.1613    0.4503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6709   -1.3877   -0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2637    0.3889   -0.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1154    1.1361   -0.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6818    0.3755   -1.7679 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4691    0.0786    1.8123 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5725    0.5583   -0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3190   -2.4581   -0.9008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -1.5822    0.9763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2759    1.1644   -0.8894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8962    2.1206    0.8328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7829    0.2472    2.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8264    0.4872    1.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8584   -3.7232   -0.6679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1020   -2.8473    1.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1787    2.1904   -0.6607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8608    3.1038    0.9846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -3.9178    0.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6732   -0.1102    2.5248 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3806    0.7337   -0.7174 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3801   -2.3453   -1.7237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8428   -0.7728    1.6440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4827    0.4165   -1.6472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0158    2.1821    1.4565 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0002    0.1901    3.3242 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8407    0.6134    1.7211 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4557    0.7312   -2.8227 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0464    0.5526   -3.8053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5824   -4.5576   -1.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7930   -3.0000    2.0331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0990    2.2578   -1.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7360    3.8971    1.7144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1688   -4.9031    0.5694 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  9  2  0  0  0  0
  2  9  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  0  0  0  0
  3 20  2  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 23  1  0  0  0  0
 11 17  1  0  0  0  0
 11 24  1  0  0  0  0
 12 18  1  0  0  0  0
 12 25  1  0  0  0  0
 13 19  2  0  0  0  0
 13 26  1  0  0  0  0
 14 20  1  0  0  0  0
 14 27  1  0  0  0  0
 15 21  2  0  0  0  0
 15 28  1  0  0  0  0
 16 17  2  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 22  2  0  0  0  0
 18 33  1  0  0  0  0
 19 22  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
M  END
$$$$

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2025-04-11, 683👍, 0💬