Molecule FYI-1000259

Home > Molecule

A

Molecule Summary:

ID: FYI-1000259
SMILES: CC1=CC2=C(C=C1C3=CC=CC(=C3)C[N+]#[C-])N=C(N=C2N)N

Received at FYIcenter.com on: 2021-02-07

Molecule ID: FYI-1000259 Edit

Molecule Structure SMILES String: CC1=CC2=C(C=C1C3=CC=CC(=C3)C[N+]#[C-])N=C(N=C2N)N

Download SDF Download SVG Structure in 2D SDF:

FYI-1000259
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.2745    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    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
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 N   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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
  7  2  1  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
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  3  0  0  0  0
 17  5  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20  4  1  0  0  0  0
 21 20  1  0  0  0  0
 22 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000259-3D
FYIcenter.com

 37 39  0  0  0  0  0  0  0  0999 V2000
    0.9057   -0.0692   -0.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3933    0.0434    0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1055   -1.1684    0.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5001   -1.2048    0.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2052   -0.0144    0.4115 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4921    1.1817    0.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0859    1.2627    0.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4306    2.6008    0.2837 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0298    3.7600   -0.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4472    5.0229   -0.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2173    5.1540    0.5626 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5663    4.0246    1.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2148    2.7809    0.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7662    4.1497    1.7648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6615    3.0599    1.4779 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.4107    2.1874    1.2583 C   0  5  0  0  0  0  0  0  0  0  0  0
    6.5255    0.0125    0.6323 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1496   -1.1577    0.7781 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5797   -2.3549    0.6491 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2634   -2.3675    0.4011 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6805   -3.6394    0.3395 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4943   -1.1265    1.0778 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6409   -1.0459   -0.6422 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5498    0.6839   -0.9287 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703    0.0122    0.7297 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5619   -2.1080   -0.0247 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0699    2.0933    0.5074 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9793    3.7024   -0.7703 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9584    5.9053   -0.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7803    6.1443    0.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7543    1.9314    1.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2691    5.0735    1.4532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6009    4.2039    2.8462 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4314   -4.3223    0.4211 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1360   -3.7690   -0.5051 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9079   -0.2561    0.7784 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9416   -1.9891    0.8054 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  2  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  2  0  0  0  0
  6 27  1  0  0  0  0
  7  8  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 28  1  0  0  0  0
 10 11  2  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  3  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 22  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2021-03-07, 340👍, 0💬