Molecule Editor

Molecule ID: FYI-1008110 Edit

Molecule Structure InChIKey: OVBOIQOSBATJSP-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C#N)CC(CC(C#N)CC(CC(C#N)CCc1ccccc1)c2ccccc2)c3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1008110
FYIcenter.com

 36 38  0  0  0  0  0  0  0  0999 V2000
    0.0000   15.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   14.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   13.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   12.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   11.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2744    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0620    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2745    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   10.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9733   14.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  3  0  0  0  0
  4 15  1  0  0  0  0
  6 16  1  0  0  0  0
 16 17  3  0  0  0  0
  8 18  1  0  0  0  0
 10 19  1  0  0  0  0
 19 20  3  0  0  0  0
 12 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 18 31  1  0  0  0  0
 18 27  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 15 36  1  0  0  0  0
 15 32  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008110-3D
FYIcenter.com

 71 73  0  0  1  0  0  0  0  0999 V2000
    3.2444   -3.5154   -1.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7151   -3.2941   -1.4486 C   0  0  3  0  0  0  0  0  0  0  0  0
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    5.5203   -0.1468    0.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0250   -0.9009    1.0800 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4337    2.2717   -0.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7543    3.5652   -0.8605 C   0  0  3  0  0  0  0  0  0  0  0  0
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    2.8483    3.7845    0.9744 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5123    5.0019    1.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0631    6.0118    2.1134 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3344    3.7023    1.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7195    2.3497    0.8595 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$