Molecule FYI-1005513

A

Molecule Summary:

ID: FYI-1005513
Names:
InChIKey: HFUZAEYLQIRRAY-UHFFFAOYSA-N
SMILES: C[Si]4(C)CCN(Cc3cc(c1ccc(C(F)(F)F)cc1)n(c2ccc(Cl)cc2)n3)CC4

Received at FYIcenter.com on: 2023-11-01

Molecule ID: FYI-1005513 Edit

Molecule Structure InChIKey: HFUZAEYLQIRRAY-UHFFFAOYSA-N

Molecule Structure SMILES String: C[Si]4(C)CCN(Cc3cc(c1ccc(C(F)(F)F)cc1)n(c2ccc(Cl)cc2)n3)CC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005513
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
   14.7271    4.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0272    5.3993    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   15.4271    5.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0272    6.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8147    7.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6023    6.7993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3898    7.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5693    6.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9999    7.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6075    7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6023    5.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8147    4.6993    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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 22  8  2  0  0  0  0
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 28 26  1  0  0  0  0
 29 28  2  0  0  0  0
 29 23  1  0  0  0  0
 30  6  1  0  0  0  0
 31 30  1  0  0  0  0
 31  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005513-3D
FYIcenter.com

 56 59  0  0  0  0  0  0  0  0999 V2000
    7.3791   -5.0193   -1.1592 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9873   -4.4599   -2.2723 Si  0  0  0  0  0  0  0  0  0  0  0  0
    5.1091   -5.8448   -3.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6957   -3.1824   -3.4992 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0935   -1.8943   -2.7572 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0021   -1.2023   -2.0417 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9229   -0.7210   -2.9257 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4045    0.2986   -3.9168 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4636    1.6941   -3.7288 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7592    2.2218   -4.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6435    3.6055   -5.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4413    7.6911   -6.8458 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6525    8.6210   -5.8741 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3773    7.9320   -7.8050 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2400    7.9998   -7.4068 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2540    5.2150   -7.2203 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2942    3.8994   -6.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1300    1.1228   -5.7451 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8562    1.0959   -6.9721 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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 15 18  1  0  0  0  0
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 20 48  1  0  0  0  0
 21 22  1  0  0  0  0
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 22 28  2  0  0  0  0
 23 24  2  0  0  0  0
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 31 55  1  0  0  0  0
 31 56  1  0  0  0  0
M  END
$$$$

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2023-11-09, 1973👍, 0💬