Molecule FYI-1014318

A

Molecule Summary:

ID: FYI-1014318
Names:
InChIKey: AQKMASIJQXIOKJ-UHFFFAOYSA-N
SMILES: NC4=NC(c1ccncc1)(c3cccc(c2cncnc2)c3)c5ccccc45

Received at FYIcenter.com on: 2025-03-30

Molecule ID: FYI-1014318 Edit

Molecule Structure InChIKey: AQKMASIJQXIOKJ-UHFFFAOYSA-N

Molecule Structure SMILES String: NC4=NC(c1ccncc1)(c3cccc(c2cncnc2)c3)c5ccccc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1014318
FYIcenter.com

 28 32  0  0  0  0  0  0  0  0999 V2000
   10.0481    5.6224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8227    4.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5301    5.4904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5833    4.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1761    4.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4244    5.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1934    6.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3617    4.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    3.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3445    3.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0763    5.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667    6.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6277    0.0820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7952    1.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  5  4  1  0  0  0  0
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 11  4  1  0  0  0  0
 12 11  2  0  0  0  0
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 17  4  1  0  0  0  0
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 19 18  1  0  0  0  0
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  9 23  1  0  0  0  0
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 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 23 28  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014318-3D
FYIcenter.com

 45 49  0     1  0  0  0  0  0999 V2000
    2.4508    0.0133   -1.5664 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6303   -0.9077   -1.7651 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7801    4.3774    0.1262 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7530   -1.1282    0.7242 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9520    1.1271    1.0054 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4006    0.1230   -0.4730 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0449   -0.6153    0.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0956   -0.6012   -0.8770 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042   -1.0524    0.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1802    1.6378   -0.2598 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4807   -0.6277   -1.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5717   -0.9072    1.9571 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1283   -1.6106   -1.8392 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1408   -1.7662    1.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7136    2.4291   -1.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4470    2.2148    0.9769 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3955   -1.6263    2.8289 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6715   -2.0509    2.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0483   -2.2645   -2.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2578   -1.9091   -1.6074 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5318    3.7812   -1.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.8135    0.4287    1.5849 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
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  3 23  2  0  0  0  0
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  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
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  9 15  2  0  0  0  0
 10 16  2  0  0  0  0
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 16 23  1  0  0  0  0
 16 33  1  0  0  0  0
 17 24  2  0  0  0  0
 17 34  1  0  0  0  0
 18 22  1  0  0  0  0
 18 25  1  0  0  0  0
 19 20  2  0  0  0  0
 19 35  1  0  0  0  0
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 26 43  1  0  0  0  0
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 28 45  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-11, 764👍, 0💬