Molecule FYI-1006490

A

Molecule Summary:

ID: FYI-1006490
Names:
InChIKey: YMMMMURBNDWEEK-UHFFFAOYSA-N
SMILES: COc1cc(C)c6c(c1)[nH]c5ccc(n4c2ccccc2c3cc(C)cc(OC)c34)cc56

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

Molecule ID: FYI-1006490 Edit

Molecule Structure InChIKey: YMMMMURBNDWEEK-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1cc(C)c6c(c1)[nH]c5ccc(n4c2ccccc2c3cc(C)cc(OC)c34)cc56

Download SDF Download SVG Structure in 2D SDF:

FYI-1006490
FYIcenter.com

 32 37  0  0  0  0  0  0  0  0999 V2000
    2.4249    6.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5036    3.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6807    2.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2501    0.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6425    0.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    1.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8959    3.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    4.3943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8347    4.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2673    6.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0144    7.2086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2794    7.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2081    2.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  8 20  1  0  0  0  0
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 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
 24 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006490-3D
FYIcenter.com

 56 61  0  0  0  0  0  0  0  0999 V2000
    1.3549   -0.4109    0.6201 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    0.0296   -0.2109 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0874    1.1593    0.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7020    1.9838    1.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4579    3.1165    1.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9985    3.9478    2.7974 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6457    3.3958    0.9109 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9978    2.5619   -0.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2341    1.4565   -0.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1797    3.0349   -0.6655 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6565    4.0794    0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8680    4.7632    0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0790    5.8038    0.9129 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0848    6.2253    1.8093 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2612    7.4426    2.5586 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9060    8.5766    2.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4562    8.8450    0.7398 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0939   10.0656    0.4995 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1326   11.0425    1.4788 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5135   10.8206    2.7079 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8889    9.5807    2.9802 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1600    9.0969    4.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8165    9.7283    5.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1060    9.0460    6.2933 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7416    9.6939    7.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9020    5.6745    4.7726 O   0  0  0  0  0  0  0  0  0  0  0  0
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 22 30  2  0  0  0  0
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 31 32  1  0  0  0  0
 31 56  1  0  0  0  0
M  END
$$$$

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