Molecule FYI-1000206

Home > Molecule

A

Molecule Summary:

ID: FYI-1000206
SMILES: CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)C(C)(C)C

Received at FYIcenter.com on: 2020-12-12

Molecule ID: FYI-1000206 Edit

Molecule Structure SMILES String: CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)C(C)(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1000206
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.8655    4.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    2.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4655    1.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    2.8959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    3.4653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    1.5035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    5.6959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    7.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3406    7.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    8.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1406    7.0959    0.0000 C   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  2  1  0  0  0  0
  5  2  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
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  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
 18 17  1  0  0  0  0
 18 13  1  0  0  0  0
 19 18  2  0  0  0  0
 19 11  1  0  0  0  0
 20  8  1  0  0  0  0
 21  7  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000206-3D
FYIcenter.com

 49 51  0  0  0  0  0  0  0  0999 V2000
    0.9353    0.0084   -0.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4783   -0.0444   -0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0889    0.3972   -1.3585 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8563    0.9956    1.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9909   -1.4574    0.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2927   -2.6099   -0.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6679   -3.9321    0.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8824   -4.0896    0.9020 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6424   -2.9687    1.2883 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1847   -1.6704    1.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8789   -3.1471    1.9387 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3422   -2.2428    2.8416 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4455   -2.8314    3.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2805   -2.4536    4.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4140   -3.2671    4.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7152   -4.3741    3.7025 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8842   -4.7878    2.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7237   -4.0091    2.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7205   -4.1660    1.6147 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.2940    1.3742 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7395   -5.0916   -0.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0993   -5.5216   -1.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -6.2972    0.7066 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2229   -4.7358   -0.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5848    1.0369   -0.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4523   -0.3844    0.7641 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5654   -0.5615   -0.9969 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7526    1.4033   -1.6345 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8026   -0.2807   -2.1712 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1842    0.4144   -1.3159 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4127    1.9741    0.8437 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9391    1.1538    1.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5004    0.6864    2.0546 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3822   -2.4559   -0.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8002   -0.8305    1.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0535   -1.6097    5.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1009   -3.0343    5.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6305   -4.9339    3.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1081   -5.6353    2.0127 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4666   -5.8738    0.6159 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1100   -5.9405   -1.7423 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0462   -4.6772   -2.3798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4054   -6.2898   -2.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8303   -6.7728    0.6548 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1507   -7.0868    0.4456 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6727   -5.9922    1.7418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0146   -3.9117   -0.9502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1550   -4.4868    0.7280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3695   -5.5912   -0.6288 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  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  2  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  2  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  2  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  2  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2021-07-19, 1498👍, 0💬