Molecule FYI-1011453

Home > Molecule

A

Molecule Summary:

ID: FYI-1011453
Names:
InChIKey: FGELDYGJFDESTK-UHFFFAOYSA-N
SMILES: O=c2[nH]c1ccccc1cc2Cc3cccc4ccncc34

Received at FYIcenter.com on: 2024-08-09

Molecule ID: FYI-1011453 Edit

Molecule Structure InChIKey: FGELDYGJFDESTK-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c2[nH]c1ccccc1cc2Cc3cccc4ccncc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1011453
FYIcenter.com

 22 25  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    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  1  0  0  0  0
  5  4  2  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  4  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  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  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
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 22 13  1  0  0  0  0
 22 17  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011453-3D
FYIcenter.com

 36 39  0  0  0  0  0  0  0  0999 V2000
   -1.6822   -1.2875    2.3561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3047   -0.7330    1.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3764    0.2789    1.3681 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2216    0.8319    0.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1929    1.8230    0.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8094    2.3321   -0.7881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4560    1.8462   -2.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4760    0.8619   -2.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1508    0.3530   -1.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2061   -0.6433   -1.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8203   -1.1308   -0.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9262   -2.1457   -0.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3427   -1.5796   -0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0228   -1.4499    1.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3683   -1.0920    1.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0501   -0.8199   -0.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3858   -0.8783   -1.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0784   -0.5760   -2.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4080   -0.6531   -3.7249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1209   -1.0208   -3.8365 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4764   -1.3150   -2.6792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0269   -1.2630   -1.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0693    0.5665    2.2879 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4775    2.2058    1.3317 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5686    3.1051   -0.6976 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9414    2.2407   -2.9389 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2045    0.4985   -3.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5051   -0.9542   -2.1123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8539   -2.8886    0.6755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7818   -2.7504   -1.0348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5124   -1.6666    1.9933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8955   -1.0466    2.0355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1059   -0.5676   -0.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1240   -0.2861   -2.5055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9086   -0.4181   -4.6600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4499   -1.6157   -2.8459 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  2  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  2  0  0  0  0
 14 15  2  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  2  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  2  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 36  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-14, 1163👍, 0💬