Molecule FYI-1007683

A

Molecule Summary:

ID: FYI-1007683
Names:
InChIKey: QNAKCTQFEQAZKX-UHFFFAOYSA-N
SMILES: c6ccc(C5c1c(ccc2ccccc12)Oc4ccc3ccccc3c45)cc6

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

Molecule ID: FYI-1007683 Edit

Molecule Structure InChIKey: QNAKCTQFEQAZKX-UHFFFAOYSA-N

Molecule Structure SMILES String: c6ccc(C5c1c(ccc2ccccc12)Oc4ccc3ccccc3c45)cc6

Download SDF Download SVG Structure in 2D SDF:

FYI-1007683
FYIcenter.com

 28 33  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.9714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.9714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.9714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.9714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7330    0.0000    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
 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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007683-3D
FYIcenter.com

 46 51  0     0  0  0  0  0  0999 V2000
   -0.0001   -2.1054    1.4218 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    0.1977   -0.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2678   -0.6171   -0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2679   -0.6173   -0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1772   -1.7024    0.8390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1771   -1.7028    0.8386 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002    1.4527    0.5144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5337   -0.2894   -0.6236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5337   -0.2892   -0.6236 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6719   -1.0560   -0.2562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6718   -1.0564   -0.2568 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3043   -2.4387    1.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3041   -2.4396    1.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5416   -2.1153    0.6501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5414   -2.1163    0.6488 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7392    0.7578   -1.5531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7394    0.7586   -1.5522 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0006    2.6909   -0.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0007    1.3698    1.9031 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9342   -0.7580   -0.7963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9341   -0.7581   -0.7967 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0004    1.0419   -2.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0005    1.0428   -2.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007    3.8588    0.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0008    2.5377    2.6657 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0984    0.2853   -1.7026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0984    0.2858   -1.7022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    3.7822    2.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4169   -1.3798 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2251   -3.2701    1.8884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2248   -3.2715    1.8869 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4075   -2.7074    0.9402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4072   -2.7089    0.9383 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9136    1.3749   -1.8951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9139    1.3761   -1.8936 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0011    2.7705   -1.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0013    0.4217    2.4297 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8084   -1.3421   -0.5142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8082   -1.3425   -0.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1187    1.8543   -2.7939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1188    1.8556   -2.7923 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0012    4.8277    0.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0014    2.4786    3.7502 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0803    0.5025   -2.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0803    0.5033   -2.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0002    4.6915    2.6294 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2 29  1  0  0  0  0
  3  5  2  0  0  0  0
  3  8  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 18  2  0  0  0  0
  7 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 16  2  0  0  0  0
  9 11  1  0  0  0  0
  9 17  2  0  0  0  0
 10 14  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
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 12 30  1  0  0  0  0
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 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 22  1  0  0  0  0
 16 34  1  0  0  0  0
 17 23  1  0  0  0  0
 17 35  1  0  0  0  0
 18 24  1  0  0  0  0
 18 36  1  0  0  0  0
 19 25  2  0  0  0  0
 19 37  1  0  0  0  0
 20 26  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 26  2  0  0  0  0
 22 40  1  0  0  0  0
 23 27  2  0  0  0  0
 23 41  1  0  0  0  0
 24 28  2  0  0  0  0
 24 42  1  0  0  0  0
 25 28  1  0  0  0  0
 25 43  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

2024-03-17, 1530👍, 0💬