Molecule FYI-1015691

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Molecule Summary:

ID: FYI-1015691
Names:
InChIKey: PKELCHHNTDXTOM-UHFFFAOYSA-N
SMILES: c3ccc(c2ccc1cccnc1c2)cc3

Received at FYIcenter.com on: 2025-09-29

Molecule ID: FYI-1015691 Edit

Molecule Structure InChIKey: PKELCHHNTDXTOM-UHFFFAOYSA-N

Molecule Structure SMILES String: c3ccc(c2ccc1cccnc1c2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015691
FYIcenter.com

 16 18  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  1  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 10  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015691-3D
FYIcenter.com

 27 29  0     0  0  0  0  0  0999 V2000
    2.5927    1.6292    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5074   -0.3131    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -0.7556    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7622    0.5694    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9338   -0.0707    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3834    0.7631    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0237   -1.6155    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3503   -1.8383    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6338   -0.9511   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6213    0.0457   -1.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6218    0.0462    1.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4921    0.1389   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9965    0.2791   -1.2083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9970    0.2794    1.2076 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9254    1.3973   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6844    0.3959   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0041    1.7820    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6996   -2.4669    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7186   -2.8618   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0535   -1.9545   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1006   -0.0428   -2.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1015   -0.0420    2.1590 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5675    0.0060   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5318    0.3698   -2.1488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5329    0.3703    2.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5468    2.2869   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7551    0.5775   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 15  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 12  2  0  0  0  0
  9 20  1  0  0  0  0
 10 13  1  0  0  0  0
 10 21  1  0  0  0  0
 11 14  2  0  0  0  0
 11 22  1  0  0  0  0
 12 15  1  0  0  0  0
 12 23  1  0  0  0  0
 13 16  2  0  0  0  0
 13 24  1  0  0  0  0
 14 16  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-10-24, 955👍, 0💬