Molecule FYI-1014092

A

Molecule Summary:

ID: FYI-1014092
Names:
InChIKey: KDBFWRRBGLHYKD-UHFFFAOYSA-N
SMILES: Cc4cc(c1ccccc1)nc(Nc3cc2ccccc2[nH]3)n4

Received at FYIcenter.com on: 2025-02-27

Molecule ID: FYI-1014092 Edit

Molecule Structure InChIKey: KDBFWRRBGLHYKD-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4cc(c1ccccc1)nc(Nc3cc2ccccc2[nH]3)n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014092
FYIcenter.com

 23 26  0  0  0  0  0  0  0  0999 V2000
    7.9530    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5903    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5903    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    4.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    2.1076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    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  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
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 11  4  2  0  0  0  0
 12 11  1  0  0  0  0
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 14 13  1  0  0  0  0
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 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 22 14  1  0  0  0  0
 23 12  2  0  0  0  0
 23  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014092-3D
FYIcenter.com

 39 42  0     0  0  0  0  0  0999 V2000
   -3.1256   -1.4955    0.0117 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8086   -1.9009   -0.0119 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0838   -0.5136   -0.0139 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3087   -2.9127   -0.0418 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0108   -0.4412    0.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2528    0.7318    0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8378   -1.0307    0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8837    0.3443    0.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4101   -0.4362    0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9220    1.9715    0.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6366   -1.7657   -0.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4300   -0.4243   -0.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0521    0.8053    0.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3214    1.9919    0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542    0.9205   -0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6479   -2.7499   -0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2706   -1.5184   -0.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1893    1.1872    0.5789 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2286    1.9598   -0.6026 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4739   -3.9918   -0.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6962    2.4867    0.5877 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7357    3.2594   -0.5939 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9694    3.5226    0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3888   -2.4710    0.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0380    1.0176    0.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0351   -2.8949   -0.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3650    2.9040    0.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1384    0.8444    0.0701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8430    2.9453    0.0819 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3510   -1.4491   -0.0775 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7769    0.4159    1.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2701    1.7877   -1.0861 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1179   -4.0358    0.8110 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8410   -4.8854   -0.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0977   -4.0194   -0.9721 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6541    2.6934    1.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1713    4.0659   -1.0527 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3638    4.5345    0.0087 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  1 24  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  2 26  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  2  0  0  0  0
  4 11  2  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  2  0  0  0  0
  8 25  1  0  0  0  0
  9 13  1  0  0  0  0
  9 27  1  0  0  0  0
 10 14  1  0  0  0  0
 10 28  1  0  0  0  0
 12 15  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 17 31  1  0  0  0  0
 18 21  1  0  0  0  0
 18 32  1  0  0  0  0
 19 22  2  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 23  2  0  0  0  0
 21 37  1  0  0  0  0
 22 23  1  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
M  END
$$$$

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2025-03-12, 1250👍, 0💬