Molecule FYI-1006491

A

Molecule Summary:

ID: FYI-1006491
Names:
InChIKey: ZAFKAURCUGXQSU-UHFFFAOYSA-N
SMILES: COc5cc(C)cc6c4cc(n3c1ccccc1c2cc(C)cc(OC)c23)ccc4[nH]c56

Received at FYIcenter.com on: 2023-12-27

Molecule ID: FYI-1006491 Edit

Molecule Structure InChIKey: ZAFKAURCUGXQSU-UHFFFAOYSA-N

Molecule Structure SMILES String: COc5cc(C)cc6c4cc(n3c1ccccc1c2cc(C)cc(OC)c23)ccc4[nH]c56

Download SDF Download SVG Structure in 2D SDF:

FYI-1006491
FYIcenter.com

 32 37  0  0  0  0  0  0  0  0999 V2000
   13.0080    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7955    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5831    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5831    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3707    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3707    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1582    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1582    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3707    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6872    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8645    6.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4720    6.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0450    1.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103    4.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 10  9  1  0  0  0  0
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 31 30  1  0  0  0  0
 32 29  2  0  0  0  0
 32 17  1  0  0  0  0
 32 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006491-3D
FYIcenter.com

 56 61  0     0  0  0  0  0  0999 V2000
    1.3551    2.4521    0.8436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3651    0.2282    1.0981 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8847   -0.4819    0.3036 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4300   -0.1154    1.6793 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7642    0.5809    0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5258   -1.6595   -0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9891    0.0726   -0.2549 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5649   -0.3972    0.7102 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8384   -1.3438   -0.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5524    1.9433    0.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2505   -0.5057    2.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8614    2.3359   -0.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
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 24 28  2  0  0  0  0
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M  END
$$$$

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