Molecule FYI-1007688

A

Molecule Summary:

ID: FYI-1007688
Names:
InChIKey: WZABECXYRRYXBM-UHFFFAOYSA-N
SMILES: Oc6ccc(C5c1c(ccc2ccccc12)Oc4ccc3ccccc3c45)cc6

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

Molecule ID: FYI-1007688 Edit

Molecule Structure InChIKey: WZABECXYRRYXBM-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc6ccc(C5c1c(ccc2ccccc12)Oc4ccc3ccccc3c45)cc6

Download SDF Download SVG Structure in 2D SDF:

FYI-1007688
FYIcenter.com

 29 34  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 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
  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
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  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007688-3D
FYIcenter.com

 47 52  0     0  0  0  0  0  0999 V2000
   -0.0002   -1.9373    1.7844 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2235    1.6008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -0.0605   -0.3986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2677   -0.8003    0.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2679   -0.8004    0.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002    1.3417    0.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1771   -1.6694    1.1284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1772   -1.6697    1.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5336   -0.6047   -0.6044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5338   -0.6045   -0.6044 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6718   -1.2742   -0.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6719   -1.2745   -0.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -2.3120    1.6329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3042   -2.3131    1.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5415   -2.1133    1.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5415   -2.1144    1.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007    2.4216   -0.7514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0004    1.5662    1.5081 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7392    0.2175   -1.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7394    0.2186   -1.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9341   -1.0996   -0.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9342   -1.0996   -0.6723 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0004    0.3807   -2.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0006    0.3820   -2.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0008    3.7261   -0.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0003    2.8707    2.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0984   -0.2762   -1.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0985   -0.2753   -1.7816 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0004    3.9506    1.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0768   -1.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250   -2.9741    2.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4074   -2.6290    1.4437 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9136    0.7467   -2.2044 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8084   -1.6093   -0.2708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8084   -1.6095   -0.2714 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1186    1.0208   -3.1857 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0012    4.5633   -0.9502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0007    3.0324    3.0766 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0803   -0.1523   -2.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0804   -0.1511   -2.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0005    5.1924    2.5730 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
  2 29  1  0  0  0  0
  2 47  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 30  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
 12 22  2  0  0  0  0
 13 15  2  0  0  0  0
 13 31  1  0  0  0  0
 14 16  2  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 25  1  0  0  0  0
 17 35  1  0  0  0  0
 18 26  2  0  0  0  0
 18 36  1  0  0  0  0
 19 23  1  0  0  0  0
 19 37  1  0  0  0  0
 20 24  1  0  0  0  0
 20 38  1  0  0  0  0
 21 27  1  0  0  0  0
 21 39  1  0  0  0  0
 22 28  1  0  0  0  0
 22 40  1  0  0  0  0
 23 27  2  0  0  0  0
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 24 28  2  0  0  0  0
 24 42  1  0  0  0  0
 25 29  2  0  0  0  0
 25 43  1  0  0  0  0
 26 29  1  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 184👍, 0💬