Molecule FYI-1007694

A

Molecule Summary:

ID: FYI-1007694
Names:
InChIKey: VUYCFOVXCDLBIF-UHFFFAOYSA-N
SMILES: O=N(=O)Cc6ccc(C5c1c(ccc2ccccc12)Oc4ccc3ccccc3c45)cc6

Received at FYIcenter.com on: 2024-03-12

Molecule ID: FYI-1007694 Edit

Molecule Structure InChIKey: VUYCFOVXCDLBIF-UHFFFAOYSA-N

Molecule Structure SMILES String: O=N(=O)Cc6ccc(C5c1c(ccc2ccccc12)Oc4ccc3ccccc3c45)cc6

Download SDF Download SVG Structure in 2D SDF:

FYI-1007694
FYIcenter.com

 32 37  0  0  0  0  0  0  0  0999 V2000
    2.4150    0.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075    0.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4150    2.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6225    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6225    0.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4150    4.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2076    5.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375    0.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299    2.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2449    0.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4524    0.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4524    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2449    2.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6599    2.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8299    4.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375    5.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375    6.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299    7.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6225    6.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6225    5.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7137    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8297    8.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0420    9.2423    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0418   10.6423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2546    8.5424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
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  9 10  2  0  0  0  0
  3 10  1  0  0  0  0
  4  7  1  0  0  0  0
 11 12  1  0  0  0  0
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  5 13  1  0  0  0  0
 14 15  1  0  0  0  0
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 12 17  2  0  0  0  0
 11 14  2  0  0  0  0
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 19 20  1  0  0  0  0
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 17 21  1  0  0  0  0
 16 18  1  0  0  0  0
 13 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 22 27  1  0  0  0  0
 22 23  2  0  0  0  0
  6 28  1  0  0  0  0
 11 28  1  0  0  0  0
 25 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007694-3D
FYIcenter.com

 51 56  0  0  0  0  0  0  0  0999 V2000
    1.9910    1.1946   -2.0284 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0998    0.6674   -0.9122 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7037   -0.4675   -0.6105 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6874    1.4998    0.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1877    1.3552    0.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9998    2.1965   -0.5852 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3830    2.2785   -0.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9840    1.5113    0.6281 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3337    1.8374    1.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1481    2.7048    2.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2027    2.6167    3.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9877    2.8664    4.7519 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7231    3.3471    5.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8743    3.8778    4.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7931    4.7245    4.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4620    5.7526    3.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1963    5.9023    2.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0325    4.8636    1.9910 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2701    3.7462    2.8177 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4610    2.4800    2.8367 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4558    2.9230    1.4928 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7068    4.2745    1.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1744    4.8629    0.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6422    4.0820   -0.9364 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5955    4.6168   -2.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5467    4.0910   -3.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0231    2.7978   -2.8194 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5089    2.0644   -1.7326 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7260    2.7206   -0.7591 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    2.2407    0.5578 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1811    0.5483    1.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8040    0.4714    1.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2383    1.1722    1.1281 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3867    2.5394    0.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9504    3.0202   -0.9177 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1420    6.8292    1.8425 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6451    5.0232    1.1067 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1388    4.9028    2.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2519    5.9390   -0.0405 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6034    4.5665   -2.7084 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7975    2.3970   -3.4634 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8889    1.0612   -1.5798 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116   -0.0833    2.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2137   -0.2191    1.6840 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  2  0  0  0  0
  6  7  2  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  2  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
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 11 12  2  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 14  2  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 30  2  0  0  0  0
 22 23  2  0  0  0  0
 22 44  1  0  0  0  0
 23 24  1  0  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 24 29  2  0  0  0  0
 25 26  2  0  0  0  0
 25 46  1  0  0  0  0
 26 27  1  0  0  0  0
 26 47  1  0  0  0  0
 27 28  2  0  0  0  0
 27 48  1  0  0  0  0
 28 29  1  0  0  0  0
 28 49  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 31 50  1  0  0  0  0
 32 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 162👍, 0💬