Molecule FYI-1005652

A

Molecule Summary:

ID: FYI-1005652
Names:
InChIKey: XSRLKEIMSCXPDZ-UHFFFAOYSA-N
SMILES: O=C(c1ccc(F)cc1)C6C3c2cccc(Br)c2C=CN3C(C(=O)c4ccc(F)cc4)C7c5cccc(Br)c5C=CN67

Received at FYIcenter.com on: 2023-11-08

Molecule ID: FYI-1005652 Edit

Molecule Structure InChIKey: XSRLKEIMSCXPDZ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(c1ccc(F)cc1)C6C3c2cccc(Br)c2C=CN3C(C(=O)c4ccc(F)cc4)C7c5cccc(Br)c5C=CN67

Download SDF Download SVG Structure in 2D SDF:

FYI-1005652
FYIcenter.com

 42 48  0  0  0  0  0  0  0  0999 V2000
   14.5492    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
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 11 10  1  0  0  0  0
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 21 20  1  0  0  0  0
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 24 23  1  0  0  0  0
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 33 32  1  0  0  0  0
 34 22  1  0  0  0  0
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 36 34  1  0  0  0  0
 37 36  2  0  0  0  0
 38 37  1  0  0  0  0
 39 38  2  0  0  0  0
 40 39  1  0  0  0  0
 41 39  1  0  0  0  0
 42 41  2  0  0  0  0
 42 36  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005652-3D
FYIcenter.com

 64 70  0  0  1  0  0  0  0  0999 V2000
    3.4122   -1.6744   -1.8439 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9266   -0.5413   -1.8915 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3481   -0.1422   -3.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4108   -1.1165   -4.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2188    0.3167   -5.7178 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6590    0.5370   -6.9139 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1546    1.3002   -4.7323 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7233    1.0791   -3.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9048    0.3604   -0.6353 C   0  0  3  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  4  5  2  0  0  0  0
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  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 45  1  0  0  0  0
  9 46  1  0  0  0  0
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 10 42  1  0  0  0  0
 10 47  1  0  0  0  0
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 32 59  1  0  0  0  0
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 41 64  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-13, 1900👍, 0💬