Molecule FYI-1007692

A

Molecule Summary:

ID: FYI-1007692
Names:
InChIKey: GVECOUUCTWLTQE-UHFFFAOYSA-N
SMILES: N#Cc6ccc(C5c1c(ccc2ccccc12)Oc4ccc3ccccc3c45)cc6

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

Molecule ID: FYI-1007692 Edit

Molecule Structure InChIKey: GVECOUUCTWLTQE-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1007692
FYIcenter.com

 30 35  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
    9.6599    4.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4524    5.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2449    4.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8295    9.9421    0.0000 N   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
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  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
 12 13  1  0  0  0  0
  5 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 11 14  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 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  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007692-3D
FYIcenter.com

 47 52  0     0  0  0  0  0  0999 V2000
   -0.0007   -1.9200    1.9719 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0025    6.3561    1.1792 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0003   -0.3315   -0.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2674   -1.0120    0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2683   -1.0115    0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    1.1260   -0.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1765   -1.7367    1.2876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1779   -1.7364    1.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5332   -0.8979   -0.5651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5341   -0.8962   -0.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6713   -1.4967    0.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6724   -1.4952    0.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3036   -2.3113    1.8686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3050   -2.3112    1.8679 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408   -2.1896    1.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5422   -2.1890    1.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0006    2.0863   -1.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0005    1.5219    1.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7389   -0.2242   -1.7925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7397   -0.2215   -1.7917 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9336   -1.3979   -0.5702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9347   -1.3953   -0.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0001   -0.1350   -2.3869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0008   -0.1316   -2.3859 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0018    3.4425   -0.7645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0017    2.8782    1.5847 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0979   -0.7201   -1.7746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0988   -0.7165   -1.7739 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0023    3.8385    0.5731 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    5.2278    0.9076 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9135    0.2426   -2.3217 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0021    4.1793   -1.5642 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0019    3.1715    2.6319 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0798   -0.6533   -2.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0808   -0.6489   -2.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
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  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 31  1  0  0  0  0
  4  7  2  0  0  0  0
  4  9  1  0  0  0  0
  5  8  2  0  0  0  0
  5 10  1  0  0  0  0
  6 17  2  0  0  0  0
  6 18  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  2  0  0  0  0
 10 12  1  0  0  0  0
 10 20  2  0  0  0  0
 11 15  1  0  0  0  0
 11 21  2  0  0  0  0
 12 16  1  0  0  0  0
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 13 32  1  0  0  0  0
 14 16  2  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 25  1  0  0  0  0
 17 36  1  0  0  0  0
 18 26  2  0  0  0  0
 18 37  1  0  0  0  0
 19 23  1  0  0  0  0
 19 38  1  0  0  0  0
 20 24  1  0  0  0  0
 20 39  1  0  0  0  0
 21 27  1  0  0  0  0
 21 40  1  0  0  0  0
 22 28  1  0  0  0  0
 22 41  1  0  0  0  0
 23 27  2  0  0  0  0
 23 42  1  0  0  0  0
 24 28  2  0  0  0  0
 24 43  1  0  0  0  0
 25 29  2  0  0  0  0
 25 44  1  0  0  0  0
 26 29  1  0  0  0  0
 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 153👍, 0💬