Molecule FYI-1007626

A

Molecule Summary:

ID: FYI-1007626
Names:
InChIKey: QTKLGGOAJIJCPY-UHFFFAOYSA-N
SMILES: c3cc2Cc1cc4c(cc1c2s3)Cc5c4sc7c5sc6ccsc67

Received at FYIcenter.com on: 2024-03-06

Molecule ID: FYI-1007626 Edit

Molecule Structure InChIKey: QTKLGGOAJIJCPY-UHFFFAOYSA-N

Molecule Structure SMILES String: c3cc2Cc1cc4c(cc1c2s3)Cc5c4sc7c5sc6ccsc67

Download SDF Download SVG Structure in 2D SDF:

FYI-1007626
FYIcenter.com

 30 36  0  0  0  0  0  0  0  0999 V2000
    3.9433    4.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9849    3.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5470    2.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5324    1.2967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2872    1.9588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4985    3.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1886    3.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9437    2.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0003    1.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3494    2.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5948    1.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6094    2.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9911    3.6337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0056    4.6135    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2097    2.8407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6476    4.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6622    5.1274    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.9075    4.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6961    3.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5944    3.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5378    4.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1947    5.0158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6965    5.9019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9425    5.5044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7896    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8309    0.7292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 12  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 15  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 18  1  0  0  0  0
 23 10  1  0  0  0  0
 23 13  1  0  0  0  0
 24 23  2  0  0  0  0
 24  7  1  0  0  0  0
 21 25  1  0  0  0  0
  5 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007626-3D
FYIcenter.com

 34 40  0  0  0  0  0  0  0  0999 V2000
   -2.9165   -0.8038   -0.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5779    0.5056    0.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1775    0.6784    0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2470    1.8146    0.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0646    1.0541    0.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3279    1.5590    0.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3764    0.7651   -0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2032   -0.4622   -0.7503 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9382   -1.0248   -0.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8846   -0.2540   -0.4207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5334   -0.4624   -0.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5350   -1.7716   -0.6272 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5310   -0.9675   -1.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4303    0.0381   -0.7287 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7860    0.9817    0.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292    2.0483    0.9201 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0633    1.3321    0.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8108    0.3143   -0.7463 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3439   -0.0925   -1.4149 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2813    1.0265   -0.4863 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5981    1.5187   -0.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5920    2.4410    0.7647 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0254    2.7798    1.4230 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3881    1.6656    0.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9030   -1.2463   -0.2264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2965    1.2700    0.3476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3566    2.2066    1.3263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3334    2.5993   -0.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4880    2.5300    0.8301 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -1.9823   -1.3683 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5033   -0.8485   -2.4497 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7521   -1.9932   -1.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4829    1.2168   -0.8162 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4436    2.9617    1.1825 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 12  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 24  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  2  0  0  0  0
 21 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
 22 34  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-17, 182👍, 0💬