Molecule FYI-1007472

A

Molecule Summary:

ID: FYI-1007472
Names:
InChIKey: UXUXNGMSDNTZEC-UHFFFAOYSA-N
SMILES: c2cc3cccc4c1cc6cccc5cccc(c1cc(c2)c34)c56

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

Molecule ID: FYI-1007472 Edit

Molecule Structure InChIKey: UXUXNGMSDNTZEC-UHFFFAOYSA-N

Molecule Structure SMILES String: c2cc3cccc4c1cc6cccc5cccc(c1cc(c2)c34)c56

Download SDF Download SVG Structure in 2D SDF:

FYI-1007472
FYIcenter.com

 24 29  0  0  0  0  0  0  0  0999 V2000
    0.0021    4.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2088    4.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4213    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6256    4.9017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8391    4.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8453    2.8052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0641    2.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4947    2.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7055    2.8477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6887    4.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4226    2.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    2.0888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2254    0.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4444    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6544    0.7179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    2.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0449    4.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2625    4.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4669    4.9364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4557    6.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2302    7.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0308    6.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 10  9  2  0  0  0  0
  7 18  1  0  0  0  0
 11 10  1  0  0  0  0
 14  2  1  0  0  0  0
 12 11  2  0  0  0  0
 21 12  1  0  0  0  0
  5  6  2  0  0  0  0
  4  5  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
  3  4  2  0  0  0  0
 16 15  2  0  0  0  0
  7  6  1  0  0  0  0
 17 16  1  0  0  0  0
  1  3  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 20 19  2  0  0  0  0
  6 19  1  0  0  0  0
 21 20  1  0  0  0  0
  2  1  2  0  0  0  0
 22 21  2  0  0  0  0
  9 20  1  0  0  0  0
 23 22  1  0  0  0  0
 13  4  1  0  0  0  0
 24 23  2  0  0  0  0
 19 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007472-3D
FYIcenter.com

 38 43  0     0  0  0  0  0  0999 V2000
   -0.2016    0.6816    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2016   -0.6816    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6027    1.0352    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6027   -1.0352    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833    0.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5833   -0.0109    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1864   -1.3384    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1864    1.3384    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8224    1.6548    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8224   -1.6548    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9741    0.3162   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9740   -0.3163    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0905    2.3672    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0904   -2.3671   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1560   -2.3544    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1561    2.3544   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3914    1.6482   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3913   -1.6482   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9202   -0.7178   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9202    0.7176   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4537    2.6689   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4535   -2.6689   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5128   -2.0467   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5129    2.0467   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5671    2.7130    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5671   -2.7129    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4139    3.2175    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138   -3.2174   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8604   -3.4018    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8605    3.4019   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4484    1.9042   -0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4483   -1.9043   -0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9856   -0.4970   -0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9857    0.4968   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7783    3.7056   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7782   -3.7056   -0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2514   -2.8428   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2515    2.8427   -0.0011 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  9  2  0  0  0  0
  2  4  1  0  0  0  0
  2 10  2  0  0  0  0
  3  5  1  0  0  0  0
  3 13  2  0  0  0  0
  4  6  1  0  0  0  0
  4 14  2  0  0  0  0
  5  7  1  0  0  0  0
  5 11  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  7 15  2  0  0  0  0
  8  9  1  0  0  0  0
  8 16  2  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 17  1  0  0  0  0
 11 19  1  0  0  0  0
 12 18  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 27  1  0  0  0  0
 14 22  1  0  0  0  0
 14 28  1  0  0  0  0
 15 23  1  0  0  0  0
 15 29  1  0  0  0  0
 16 24  1  0  0  0  0
 16 30  1  0  0  0  0
 17 21  2  0  0  0  0
 17 31  1  0  0  0  0
 18 22  2  0  0  0  0
 18 32  1  0  0  0  0
 19 23  2  0  0  0  0
 19 33  1  0  0  0  0
 20 24  2  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  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, 2136👍, 0💬