Molecule FYI-1015689

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A

Molecule Summary:

ID: FYI-1015689
Names:
InChIKey: OKLKICXAGRLLGF-UHFFFAOYSA-N
SMILES: c3ccc(c2ccc1ncccc1c2)cc3

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

Molecule ID: FYI-1015689 Edit

Molecule Structure InChIKey: OKLKICXAGRLLGF-UHFFFAOYSA-N

Molecule Structure SMILES String: c3ccc(c2ccc1ncccc1c2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015689
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 N   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 C   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-1015689-3D
FYIcenter.com

 27 29  0     0  0  0  0  0  0999 V2000
   -3.5928   -0.9856    0.0007 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -0.2890   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7531    0.5708   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3647    0.7882   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9452   -0.0615   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2685   -0.7422    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0161   -1.5850    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3642   -1.8007    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6628    1.6368   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6341    0.0489    1.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6347    0.0474   -1.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0280    1.3891   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0116    0.2681    1.2083 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0123    0.2666   -1.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4373    0.0712    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7007    0.3770    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0217    1.8065   -0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6834   -2.4437    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7313   -2.8255    0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    2.6665   -0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1123   -0.0335    2.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1136   -0.0361   -2.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7454    2.2012   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5478    0.3541    2.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5490    0.3515   -2.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4921   -0.1834    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7733    0.5476    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 15  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  2  0  0  0  0
  3  9  1  0  0  0  0
  4 17  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6  8  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, 242👍, 0💬