Molecule FYI-1014527

A

Molecule Summary:

ID: FYI-1014527
Names:
InChIKey: PEQHIRFAKIASBK-UHFFFAOYSA-N
SMILES: c4ccc(C(c1ccccc1)(c2ccccc2)c3ccccc3)cc4

Received at FYIcenter.com on: 2025-04-25

Molecule ID: FYI-1014527 Edit

Molecule Structure InChIKey: PEQHIRFAKIASBK-UHFFFAOYSA-N

Molecule Structure SMILES String: c4ccc(C(c1ccccc1)(c2ccccc2)c3ccccc3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014527
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
    7.4243    2.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4243    3.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1869    4.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9495    3.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7122    4.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7122    5.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9495    6.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9495    7.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7122    8.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4747    7.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4747    6.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7122    2.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6575    2.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4747    0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7122    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9495    0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7763    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4747    3.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2373    4.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2373    1.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1241    2.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2960    2.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1869    1.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 18  5  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24  4  1  0  0  0  0
 25 24  2  0  0  0  0
 25  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014527-3D
FYIcenter.com

 45 48  0     0  0  0  0  0  0999 V2000
   -0.0846   -0.0564   -0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3753   -0.8035   -0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9321   -0.4200    1.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9117   -0.3107   -1.2439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5122    1.4793    0.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9445   -1.2493    1.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8652   -1.6786    1.6466 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8358   -1.5238   -1.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6612    1.9957    1.3049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0135   -1.0561   -1.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7263    0.5783    1.6011 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6992    0.7208   -1.5719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6805    2.1048   -1.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1517   -1.9477    1.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7448   -1.9934    2.6824 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6974   -1.7438   -2.8793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0347    3.3381    1.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208   -1.7545   -1.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6059    0.2634    2.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5606    0.5006   -2.6467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0540    3.4474   -1.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7898   -2.2003   -0.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6151   -1.0224    3.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5597   -0.7317   -3.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2310    4.0638    0.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5298   -1.0154    2.1438 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2599   -2.4755    1.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2231   -2.3471   -1.4633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5933    1.4451    2.2349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6339   -0.6862   -2.1871 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8047    1.5711    1.1814 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7856    1.6720   -1.0663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6260    1.6424   -2.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6043   -2.2797    2.0765 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7654   -2.9996    3.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7076   -2.7082   -3.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1909    3.8135    2.3327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7243   -1.9407   -2.2046 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2943    1.0147    3.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2428    1.2832   -2.9661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2247    4.0082   -1.9591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7332   -2.7382   -0.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3052   -1.2697    3.9787 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2351   -0.9052   -4.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5299    5.1068    0.2436 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2 10  1  0  0  0  0
  3  7  2  0  0  0  0
  3 11  1  0  0  0  0
  4  8  2  0  0  0  0
  4 12  1  0  0  0  0
  5  9  2  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 26  1  0  0  0  0
  7 15  1  0  0  0  0
  7 27  1  0  0  0  0
  8 16  1  0  0  0  0
  8 28  1  0  0  0  0
  9 17  1  0  0  0  0
  9 29  1  0  0  0  0
 10 18  2  0  0  0  0
 10 30  1  0  0  0  0
 11 19  2  0  0  0  0
 11 31  1  0  0  0  0
 12 20  2  0  0  0  0
 12 32  1  0  0  0  0
 13 21  2  0  0  0  0
 13 33  1  0  0  0  0
 14 22  2  0  0  0  0
 14 34  1  0  0  0  0
 15 23  2  0  0  0  0
 15 35  1  0  0  0  0
 16 24  2  0  0  0  0
 16 36  1  0  0  0  0
 17 25  2  0  0  0  0
 17 37  1  0  0  0  0
 18 22  1  0  0  0  0
 18 38  1  0  0  0  0
 19 23  1  0  0  0  0
 19 39  1  0  0  0  0
 20 24  1  0  0  0  0
 20 40  1  0  0  0  0
 21 25  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-05-12, 311👍, 0💬