Molecule FYI-1006489

A

Molecule Summary:

ID: FYI-1006489
Names:
InChIKey: JQNGTUCRXNJSJK-UHFFFAOYSA-N
SMILES: COc5cc(n3c1ccccc1c2cc(C)cc(OC)c23)cc6[nH]c4ccccc4c56

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

Molecule ID: FYI-1006489 Edit

Molecule Structure InChIKey: JQNGTUCRXNJSJK-UHFFFAOYSA-N

Molecule Structure SMILES String: COc5cc(n3c1ccccc1c2cc(C)cc(OC)c23)cc6[nH]c4ccccc4c56

Download SDF Download SVG Structure in 2D SDF:

FYI-1006489
FYIcenter.com

 31 36  0  0  0  0  0  0  0  0999 V2000
    4.8497    8.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.7273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7160    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8931    1.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8549    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6777    3.6905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4922    5.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1227    5.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1860    4.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.6273    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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 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30 21  1  0  0  0  0
 30 25  1  0  0  0  0
 31 15  1  0  0  0  0
 31  3  1  0  0  0  0
 31  8  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006489-3D
FYIcenter.com

 53 58  0  0  0  0  0  0  0  0999 V2000
    5.2961    3.3999   -3.9730 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4025    2.2881   -3.0928 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7054    2.3654   -1.9122 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0631    3.5339   -1.4501 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3352    3.5536   -0.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8030    4.7805    0.2719 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8365    5.0856    1.6489 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3954    4.4113    2.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2126    4.9266    4.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560    6.1306    4.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0937    6.8506    3.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2372    6.3239    1.8327 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9144    6.8414    0.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3420    8.0766    0.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0951    8.3678   -1.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4798    9.6696   -1.5823 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0833    5.1727   -2.7590 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1910    5.2550   -3.8734 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2414    5.8786   -0.4256 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2263    2.3736    0.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9744    1.2587    0.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 29 53  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
$$$$

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2024-01-10, 1802👍, 0💬