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2-N-[(Z)-[4-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl]methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine

Formula:C38H32N14 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-N-[(Z)-[4-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl]methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine is not a drug-like molecule.
MolName2-N-[(Z)-[4-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl]methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
MolecularFormulaC38H32N14
SmilesC(c1ccc(/C=N\Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1)=N\Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C38H32N14/c1-5-13-29(14-6-1)41-33-45-34(42-30-15-7-2-8-16-30)48-37(47-33)51-39-25-27-21-23-28(24-22-27)26-40-52-38-49-35(43-31-17-9-3-10-18-31)46-36(50-38)44-32-19-11-4-12-20-32/h1-26H,(H3,41,42,45,47,48,51)(H3,43,44,46,49,50,52)
InChIKUJWYDRIXLPZUAO-UHFFFAOYSA-N
TotalMolweight684.77
Molweight684.77
MonoisotopicMass684.293436
CLogP12.987
CLogS-11.366
H Acceptors14
H Donors6
TotalSurfaceArea542.66
Relative PSA0.29042
PolarSurfaceArea174.24
Druglikeness2.5594
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.5
Fragments1
Non HAtoms52
NonCHAtoms14
Electronegative Atoms14
Rotatable Bond14
Rings Closures7
Small Rings7
Aromatic Rings7
Aromatic Atoms42
Symmetricatoms38
Aromatic Nitrogens6
BasicNitrogens6
StereoCon

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