Molecule FYI-1012136

A

Molecule Summary:

ID: FYI-1012136
Names: PHENYLAZOANILINE;
InChIKey: UIWQZDKINVCVRN-UHFFFAOYSA-N
SMILES: C1=CC=C(C=C1)N=NNN(C2=CC=CC=C2)C3=CC=CC=C3

Received at FYIcenter.com on: 2024-08-16

Molecule ID: FYI-1012136 Edit

Molecule Names: PHENYLAZOANILINE;

Molecule Structure InChIKey: UIWQZDKINVCVRN-UHFFFAOYSA-N

Molecule Structure SMILES String: C1=CC=C(C=C1)N=NNN(C2=CC=CC=C2)C3=CC=CC=C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1012136
FYIcenter.com

 38 40  0     0  0  0  0  0  0999 V2000
    4.5981   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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 27  1  0  0  0  0
  3  4  2  0  0  0  0
  4 17  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 23  1  0  0  0  0
  8 12  1  0  0  0  0
  8 24  1  0  0  0  0
  9 13  2  0  0  0  0
  9 25  1  0  0  0  0
 10 14  2  0  0  0  0
 10 26  1  0  0  0  0
 11 15  2  0  0  0  0
 11 28  1  0  0  0  0
 12 16  2  0  0  0  0
 12 29  1  0  0  0  0
 13 15  1  0  0  0  0
 13 30  1  0  0  0  0
 14 16  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 34  1  0  0  0  0
 19 21  2  0  0  0  0
 19 35  1  0  0  0  0
 20 22  2  0  0  0  0
 20 36  1  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012136-3D
FYIcenter.com

 38 40  0     0  0  0  0  0  0999 V2000
    1.3347    0.0178   -0.4305 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1563    0.5096   -0.9587 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0229    0.3451   -0.3347 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9368    0.8443   -1.0251 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3133    1.0055   -0.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3507   -1.3895   -0.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9184    2.3120    0.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6665   -2.2409   -1.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6661    0.6661   -0.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0507   -1.9156    0.8786 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8763    3.2790    0.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6822   -3.6184   -0.8562 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6241    1.6332    0.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0666   -3.2932    1.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2293    2.9396    0.4898 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3823   -4.1447    0.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1666    0.6761   -0.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3747   -0.4267    0.4473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1847    1.6111   -0.5665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6013   -0.5945    1.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4112    1.4434    0.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6195    0.3406    0.9047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8744    2.6126    0.1804 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1274   -1.8651   -1.9403 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0071   -0.3354   -0.3494 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5698   -1.2767    1.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1802    0.9354   -1.8776 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5692    4.2957    0.7001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1528   -4.2821   -1.5337 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6780    1.3707    0.2092 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6064   -3.7026    1.9458 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9751    3.6928    0.7264 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3941   -5.2172    0.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6165   -1.1903    0.6028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0313    2.4734   -1.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7657   -1.4556    1.7314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2042    2.1714   -0.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5749    0.2095    1.4043 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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 27  1  0  0  0  0
  3  4  2  0  0  0  0
  4 17  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 23  1  0  0  0  0
  8 12  1  0  0  0  0
  8 24  1  0  0  0  0
  9 13  2  0  0  0  0
  9 25  1  0  0  0  0
 10 14  2  0  0  0  0
 10 26  1  0  0  0  0
 11 15  2  0  0  0  0
 11 28  1  0  0  0  0
 12 16  2  0  0  0  0
 12 29  1  0  0  0  0
 13 15  1  0  0  0  0
 13 30  1  0  0  0  0
 14 16  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 34  1  0  0  0  0
 19 21  2  0  0  0  0
 19 35  1  0  0  0  0
 20 22  2  0  0  0  0
 20 36  1  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-09-12, 1310👍, 0💬