Molecule FYI-1007473

A

Molecule Summary:

ID: FYI-1007473
Names:
InChIKey: IBCQJZJYWIVXRR-UHFFFAOYSA-N
SMILES: c3cc4cccc5c2cc1c7cccc6cccc(c1cc2c(c3)c45)c67

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

Molecule ID: FYI-1007473 Edit

Molecule Structure InChIKey: IBCQJZJYWIVXRR-UHFFFAOYSA-N

Molecule Structure SMILES String: c3cc4cccc5c2cc1c7cccc6cccc(c1cc2c(c3)c45)c67

Download SDF Download SVG Structure in 2D SDF:

FYI-1007473
FYIcenter.com

 26 32  0  0  0  0  0  0  0  0999 V2000
    0.0020    2.0166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1623    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1593    2.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4689    4.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3041    4.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1550    4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3166    2.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3282    0.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4675    2.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375    2.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6477    0.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8124    0.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7852    2.7191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9510    2.0664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9692    0.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0978    2.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4118    4.1216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2350    4.7823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0840    4.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2669    2.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2887    0.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4563    0.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6032    0.8011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5748    2.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4062    2.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12 11  2  0  0  0  0
  3  2  1  0  0  0  0
 13 12  1  0  0  0  0
 16 13  2  0  0  0  0
  6  5  2  0  0  0  0
 14 15  2  0  0  0  0
 11 14  1  0  0  0  0
 16 15  1  0  0  0  0
  9  3  2  0  0  0  0
  7  6  1  0  0  0  0
 15 17  1  0  0  0  0
 22 16  1  0  0  0  0
  4  7  2  0  0  0  0
 17 21  2  0  0  0  0
  9  8  1  0  0  0  0
 18 26  2  0  0  0  0
  1  4  1  0  0  0  0
 19 18  1  0  0  0  0
  2  1  2  0  0  0  0
 20 19  2  0  0  0  0
 17 20  1  0  0  0  0
  8  4  1  0  0  0  0
 10 11  1  0  0  0  0
 21 22  1  0  0  0  0
  8 10  2  0  0  0  0
 23 22  2  0  0  0  0
 12  9  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
  5 10  1  0  0  0  0
 26 25  1  0  0  0  0
 21 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007473-3D
FYIcenter.com

 40 46  0     0  0  0  0  0  0999 V2000
    1.1719   -0.7203   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1719    0.7203   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1719   -0.7203   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1719    0.7203   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3588    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3588    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5677   -1.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5677    1.1405   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5677   -1.1406   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5677    1.1404    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001   -1.4588   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4587   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7523    0.0000   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7523    0.0000   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1764   -2.3821    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1764    2.3821   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1763   -2.3822   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1764    2.3822    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3675   -1.2669    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3675    1.2670   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3675    1.2670    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5813   -2.4390    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5813    2.4391   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.5415   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5954   -3.2984    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4512    1.3521   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4512   -1.3520   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0747    3.4083    0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  2  0  0  0  0
  4 10  1  0  0  0  0
  4 12  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
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  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  2  0  0  0  0
  8 16  2  0  0  0  0
  9 17  2  0  0  0  0
 10 18  2  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
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 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 25  1  0  0  0  0
 17 31  1  0  0  0  0
 18 26  1  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
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 21 25  2  0  0  0  0
 21 35  1  0  0  0  0
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 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
 25 39  1  0  0  0  0
 26 40  1  0  0  0  0
M  END
$$$$

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