Molecule FYI-1007465

A

Molecule Summary:

ID: FYI-1007465
Names:
InChIKey: DQEXGDRNNVKZLG-UHFFFAOYSA-N
SMILES: c2ccc1cc5c(cc1c2)cc6c4cc3ccccc3cc4cc56

Received at FYIcenter.com on: 2024-02-23

Molecule ID: FYI-1007465 Edit

Molecule Structure InChIKey: DQEXGDRNNVKZLG-UHFFFAOYSA-N

Molecule Structure SMILES String: c2ccc1cc5c(cc1c2)cc6c4cc3ccccc3cc4cc56

Download SDF Download SVG Structure in 2D SDF:

FYI-1007465
FYIcenter.com

 24 29  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1579    0.0532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1579    2.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3156    2.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4623    0.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4737    2.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6337    2.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6274    0.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7831    0.0363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9513    2.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9444    0.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1026    2.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2547    2.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2408    0.6972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3786    0.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4062    2.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5515    2.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5308    0.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6624    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8217    0.6413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8422    1.9670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7034    2.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 13 11  2  0  0  0  0
  9 12  1  0  0  0  0
 13 12  1  0  0  0  0
  2  1  2  0  0  0  0
  1  4  1  0  0  0  0
 14 15  1  0  0  0  0
 12 14  2  0  0  0  0
 16 13  1  0  0  0  0
 15 16  2  0  0  0  0
  3  2  1  0  0  0  0
  5  8  1  0  0  0  0
  7  6  1  0  0  0  0
 10  7  2  0  0  0  0
 15 18  1  0  0  0  0
 17 16  1  0  0  0  0
 20 17  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
  8  9  2  0  0  0  0
 10  9  1  0  0  0  0
  6  3  2  0  0  0  0
  4  5  2  0  0  0  0
  6  5  1  0  0  0  0
 11 10  1  0  0  0  0
 19 24  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007465-3D
FYIcenter.com

 38 43  0     0  0  0  0  0  0999 V2000
    0.3342   -0.6441   -0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3342    0.6443   -0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7593   -0.4196   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7592    0.4198   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8915    0.9870   -0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8914   -0.9868   -0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5648   -1.6357   -0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5649    1.6359   -0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8525   -1.2607   -0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8526    1.2608   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1453    1.5717   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1452   -1.5717   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1330   -0.6819   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1330    0.6818   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2807    0.7396    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2806   -0.7397    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2815   -1.4876    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2817    1.4874    0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711    1.2904    0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5711   -1.2905    0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -0.9159    0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5543    0.9157    0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6985    0.4683    0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6986   -0.4685    0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3923   -2.6985   -0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3925    2.6986   -0.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193   -2.3385   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7195    2.3386   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2447    2.6539   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2444   -2.6539   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1967   -2.5725    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1970    2.5724    0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7122    2.3694    0.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7121   -2.3696    0.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4340   -1.5531    0.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4341    1.5527    0.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6908    0.9102    0.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6909   -0.9105    0.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  7  2  0  0  0  0
  2  4  1  0  0  0  0
  2  8  2  0  0  0  0
  3  5  1  0  0  0  0
  3  9  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 13  1  0  0  0  0
  9 27  1  0  0  0  0
 10 14  1  0  0  0  0
 10 28  1  0  0  0  0
 11 15  1  0  0  0  0
 11 29  1  0  0  0  0
 12 16  1  0  0  0  0
 12 30  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  2  0  0  0  0
 14 16  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 31  1  0  0  0  0
 18 22  1  0  0  0  0
 18 32  1  0  0  0  0
 19 23  1  0  0  0  0
 19 33  1  0  0  0  0
 20 24  1  0  0  0  0
 20 34  1  0  0  0  0
 21 23  2  0  0  0  0
 21 35  1  0  0  0  0
 22 24  2  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  END
$$$$

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2024-03-07, 165👍, 0💬