Molecule FYI-1007261

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A

Molecule Summary:

ID: FYI-1007261
Names:
InChIKey: KPENJYJCZZCQQN-UHFFFAOYSA-N
SMILES: C5=Cc4ccc3ccc2ccc1ccccc1c2c3c4CC5

Received at FYIcenter.com on: 2024-02-13

Molecule ID: FYI-1007261 Edit

Molecule Structure InChIKey: KPENJYJCZZCQQN-UHFFFAOYSA-N

Molecule Structure SMILES String: C5=Cc4ccc3ccc2ccc1ccccc1c2c3c4CC5

Download SDF Download SVG Structure in 2D SDF:

FYI-1007261
FYIcenter.com

 22 26  0  0  0  0  0  0  0  0999 V2000
    4.7934    4.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917    4.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917    6.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7934    6.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5951    6.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5951    4.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3966    4.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3966    2.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5951    2.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9763    2.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1677    1.9745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9917    0.6919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7934    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5951    0.6919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3966    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1983    0.6919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1983    2.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1983    4.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1983    6.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3966    6.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  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
 14  9  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17  8  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20  7  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007261-3D
FYIcenter.com

 38 42  0     0  0  0  0  0  0999 V2000
    0.7352   -0.7631   -0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6353    0.3367    0.2165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7318   -0.7543    0.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2759    1.5080    1.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3759   -2.0007   -0.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0107    0.2626   -0.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3766   -1.9988    0.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9441    2.8187    0.7031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6174    0.3803   -0.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7420   -2.0692   -0.6058 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5440   -0.9375   -0.5807 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6637   -3.1950   -0.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8899    1.4314    0.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9967    0.2881    0.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6738   -3.1961    0.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3927    2.6223    0.3745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7385   -2.0676    0.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5278   -0.9279    0.5806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2199    1.5921   -0.7823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8530    1.3946    0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0804    2.6832   -0.9378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3934    2.5920   -0.5091 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2066    1.6633    1.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6372    1.2380    2.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8507    3.5442    1.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4410    3.2474   -0.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2041   -3.0206   -0.8654 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5955   -1.0260   -0.8412 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1565   -4.1521   -0.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    1.3235   -0.2132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750   -4.1543    0.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0512    3.4837    0.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2109   -3.0221    0.8019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5823   -1.0241    0.8305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2155    1.7027   -1.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9022    1.3218    0.3079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7188    3.5965   -1.4009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0680    3.4347   -0.6238 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  5  2  0  0  0  0
  2  4  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  9  1  0  0  0  0
  4  8  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  0  0  0  0
  6 11  1  0  0  0  0
  6 13  1  0  0  0  0
  7 15  1  0  0  0  0
  7 17  1  0  0  0  0
  8 16  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 14  1  0  0  0  0
  9 19  2  0  0  0  0
 10 11  2  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 15  2  0  0  0  0
 12 29  1  0  0  0  0
 13 16  2  0  0  0  0
 13 30  1  0  0  0  0
 14 18  1  0  0  0  0
 14 20  2  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  2  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 21  1  0  0  0  0
 19 35  1  0  0  0  0
 20 22  1  0  0  0  0
 20 36  1  0  0  0  0
 21 22  2  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
M  END
$$$$

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2024-02-18, 262👍, 0💬