Molecule FYI-1001781

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A

Molecule Summary:

ID: FYI-1001781
SMILES: CCn1c2ccccc2c2cc(ccc12)CNc1nc2ccccc2n1C

Received at FYIcenter.com on: 2022-12-03

Molecule ID: FYI-1001781 Edit

Molecule Structure SMILES String: CCn1c2ccccc2c2cc(ccc12)CNc1nc2ccccc2n1C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001781
FYIcenter.com

 27 31  0  0  0  0  0  0  0  0999 V2000
   13.2204    4.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7878    5.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4184    5.9326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8489    7.2117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4184    8.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5955    9.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2032    9.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6337    8.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4566    7.0653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    3.5959    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    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    3.5959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3158    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    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    1.2125    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    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695    1.5036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2098    0.5667    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  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  8  2  0  0  0  0
  9  4  1  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
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15  3  1  0  0  0  0
 15 10  1  0  0  0  0
 16 12  1  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
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 20  1  0  0  0  0
 26 25  1  0  0  0  0
 26 18  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001781-3D
FYIcenter.com

 49 53  0  0  0  0  0  0  0  0999 V2000
    3.3841    0.3758   -1.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4254   -0.0393    0.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8716   -1.2273    0.7589 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5216   -2.5186    0.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7945   -3.0166   -0.6846 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5613   -4.3927   -0.7523 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0328   -5.2453    0.2396 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7686   -4.7423    1.3183 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -3.3571    1.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7522   -2.5429    2.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4855   -2.8184    3.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1007   -1.7783    4.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0014   -0.4682    3.7496 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2785   -0.1678    2.5885 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6553   -1.2194    1.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8536   -2.0710    5.5149 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2594   -2.3382    5.2352 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0540   -2.6119    6.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6830   -2.7351    7.5530 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8329   -2.9542    8.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0068   -3.1075    9.6521 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2958   -3.3164   10.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3915   -3.3886    9.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2387   -3.2436    7.9096 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9413   -3.0135    7.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4152   -2.7993    6.1734 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1579   -2.7998    4.9373 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9890    1.2435   -1.5922 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5351   -0.4328   -1.7772 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3623    0.6452   -0.6439 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4324   -0.2467   -0.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2946    0.7681    0.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4211   -2.3624   -1.4657 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0011   -4.8000   -1.5910 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8337   -6.3121    0.1755 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1389   -5.4172    2.0842 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5621   -3.8442    3.8676 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4755    0.3446    4.2949 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2043    0.8596    2.2445 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3921   -2.9329    6.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7516   -1.2148    6.1943 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6308   -1.7588    4.4908 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1482   -3.0538   10.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4425   -3.4220   11.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3853   -3.5556    9.7071 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0978   -3.3013    7.2506 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2303   -2.8136    5.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9168   -1.8918    4.3788 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8807   -3.6899    4.3671 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  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 33  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 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 14 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  1  0  0  0  0
 17 42  1  0  0  0  0
 18 19  2  0  0  0  0
 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  2  0  0  0  0
 21 22  2  0  0  0  0
 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
 23 24  2  0  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 24 46  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-12-28, 1031👍, 0💬