Molecule FYI-1007314

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A

Molecule Summary:

ID: FYI-1007314
Names:
InChIKey: INFDPOAKFNIJBF-UHFFFAOYSA-N
SMILES: C[n+]2ccc(c1cc[n+](C)cc1)cc2

Received at FYIcenter.com on: 2024-02-15

Molecule ID: FYI-1007314 Edit

Molecule Structure InChIKey: INFDPOAKFNIJBF-UHFFFAOYSA-N

Molecule Structure SMILES String: C[n+]2ccc(c1cc[n+](C)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007314
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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  5  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 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007314-3D
FYIcenter.com

 28 29  0     0  0  0  0  0  0999 V2000
    3.4533    0.0007   -0.0001 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.4534    0.0008    0.0002 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.7232   -0.0016   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7232   -0.0016    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4191    1.1622   -0.3132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4191    1.1621    0.3132 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4212   -1.1642    0.3122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4212   -1.1641   -0.3122 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8064    1.1341   -0.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8064    1.1340    0.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8084   -1.1337    0.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8084   -1.1337   -0.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9133    0.0024    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9133    0.0024   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9299    2.0901   -0.5915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9299    2.0893    0.5940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9329   -2.0920    0.5928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9330   -2.0925   -0.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4053    2.0056   -0.5401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4052    2.0027    0.5505 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4087   -2.0013    0.5504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4087   -2.0042   -0.5398 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2821   -0.9926   -0.2635 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2796    0.7207   -0.7382 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2436    0.2810    1.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2793    0.9968   -0.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2809   -0.7194   -0.7352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2453   -0.2693    1.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2 10  2  0  0  0  0
  2 12  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  7  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  0  0  0  0
  6 10  1  0  0  0  0
  6 16  1  0  0  0  0
  7 11  2  0  0  0  0
  7 17  1  0  0  0  0
  8 12  2  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
$$$$

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2024-03-07, 1343👍, 0💬