Molecule FYI-1001460

Home > Molecule

A

Molecule Summary:

ID: FYI-1001460
SMILES: CN(C1=C2C=CC=C1)C=C2C3=CC4=CC=C(N(C)C)C=C4N=C3N

Received at FYIcenter.com on: 2022-07-30

Molecule ID: FYI-1001460 Edit

Molecule Structure SMILES String: CN(C1=C2C=CC=C1)C=C2C3=CC4=CC=C(N(C)C)C=C4N=C3N

Download SDF Download SVG Structure in 2D SDF:

FYI-1001460
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
    9.3599    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7903    1.2790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    2.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9862    4.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3557    5.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2924    4.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8598    2.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    1.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.8624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.6624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.5624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  2  0  0  0  0
 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  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 17  1  0  0  0  0
 20 16  1  0  0  0  0
 21 20  2  0  0  0  0
 21 13  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 11  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001460-3D
FYIcenter.com

 44 47  0  0  0  0  0  0  0  0999 V2000
    2.2469    1.4872    0.7228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4576    0.3617    0.2740 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2161    0.4101   -0.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1797   -0.9172   -0.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4457   -1.1413   -1.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2476   -0.0621   -1.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8270    1.2412   -1.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5972    1.4999   -0.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8754   -0.9377    0.3946 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8745   -1.7754   -0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9640   -3.2416   -0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3880   -3.9826   -1.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3758   -5.3844   -1.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2363   -6.1423   -2.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2328   -7.5402   -1.9697 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3749   -8.2211   -0.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3898   -9.6037   -0.8401 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6556  -10.4238   -1.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4636  -10.3325   -0.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9751   -7.4179    0.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9888   -6.0235    0.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5812   -5.3305    1.0400 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5621   -3.9779    1.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2301   -3.3847    2.0752 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7203    2.4251    0.5404 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1929    1.4823    0.1752 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4265    1.3712    1.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8089   -2.1501   -1.2977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2073   -0.2484   -1.9895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4635    2.0715   -1.5844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2887    2.5246   -0.4989 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -1.1605    0.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0539   -3.4732   -1.9217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -5.6598   -2.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6916   -8.0847   -2.7877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4911   -9.8522   -1.8516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0830  -11.0836   -0.6735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2389  -11.0510   -2.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2874   -9.7011    0.1737 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9032  -11.0555   -0.8691 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0672  -10.8867    0.6848 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4346   -7.8823    0.9511 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4862   -4.1289    2.7168 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6635   -2.6626    2.5040 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  2  0  0  0  0
  7 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  2  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  2  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  2  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-08-27, 753👍, 0💬