Molecule FYI-1014428

A

Molecule Summary:

ID: FYI-1014428
Names:
InChIKey: ZLQARLGCMGNGLE-OCEACIFDSA-N
SMILES: c4ccc(/N=N/c2ccc(c1ccccc1)nc2c3ccccc3)cc4

Received at FYIcenter.com on: 2025-04-15

Molecule ID: FYI-1014428 Edit

Molecule Structure InChIKey: ZLQARLGCMGNGLE-OCEACIFDSA-N

Molecule Structure SMILES String: c4ccc(/N=N/c2ccc(c1ccccc1)nc2c3ccccc3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014428
FYIcenter.com

 26 29  0  0  0  0  0  0  0  0999 V2000
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  2  0  0  0  0
  9 10  1  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 15 21  1  0  0  0  0
 15 17  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 16 26  1  0  0  0  0
 16 22  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014428-3D
FYIcenter.com

 43 46  0  0  0  0  0  0  0  0999 V2000
    1.3309   -0.2679   -0.6072 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4711   -1.3133   -0.9372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9096   -1.0967   -0.9735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4469    0.1646   -0.6715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8240    0.4678   -0.7063 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5439   -0.5337   -0.5179 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9237   -0.2277   -0.5444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4325    0.7351   -1.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8017    0.9351   -1.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6705    0.1502   -0.7963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1362    0.2278   -0.9534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7304    0.5755   -2.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1173    0.6439   -2.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9452    0.3589   -1.2547 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3881    0.0028   -0.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9993   -0.0647    0.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2061   -0.7538    0.1000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8561   -0.9420    0.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4821   -1.9711    1.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3417   -3.0508    1.5295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9862   -4.0500    2.4433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7601   -3.9931    3.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9050   -2.9232    2.8624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2736   -1.9186    1.9641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5663    1.2037   -0.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8138    0.9921   -0.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4054   -0.4349   -0.5818 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8712   -2.2963   -1.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5635   -1.9218   -1.2432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7581    1.3211   -2.0441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1674    1.6883   -2.2337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1152    0.7786   -3.0579 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5460    0.9105   -3.2971 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0254    0.4058   -1.3676 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0316   -0.2290    0.8156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5865   -0.3518    1.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3074   -3.1230    1.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6683   -4.8736    2.6376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4725   -4.7747    3.7948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9485   -2.8602    3.3746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5877   -1.0839    1.8417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625    2.1903   -0.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4818    1.8104   -0.0605 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  2  0  0  0  0
  1 27  1  0  0  0  0
  2  3  2  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  2  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  2  0  0  0  0
  8  9  2  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  2  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  2  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  2  0  0  0  0
 20 21  2  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
 22 23  2  0  0  0  0
 22 39  1  0  0  0  0
 23 24  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 26  1  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 121👍, 0💬