2-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine

C24H22ClN7O — CID 6176095

IUPAC2-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(Nc2nc(N/N=C(/C)c3ccc(Cl)cc3)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C24H22ClN7O/c1-16(17-8-10-18(25)11-9-17)31-32-24-29-22(26-19-6-4-3-5-7-19)28-23(30-24)27-20-12-14-21(33-2)15-13-20/h3-15H,1-2H3,(H3,26,27,28,29,30,32)/b31-16-
InChIKeyJSAXWOWDIFTVRD-ACXHZZMFSA-N
MW459.94 g/mol
LogP5.86
Rot. Bonds8

About 2-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine

2-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 6176095) has the molecular formula C24H22ClN7O and a molecular weight of 459.94 g/mol. Its IUPAC name is 2-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
PubChem CID6176095
Molecular FormulaC24H22ClN7O
Molecular Weight459.94 g/mol
Exact Mass459.16
IUPAC Name2-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(Nc2nc(N/N=C(/C)c3ccc(Cl)cc3)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C24H22ClN7O/c1-16(17-8-10-18(25)11-9-17)31-32-24-29-22(26-19-6-4-3-5-7-19)28-23(30-24)27-20-12-14-21(33-2)15-13-20/h3-15H,1-2H3,(H3,26,27,28,29,30,32)/b31-16-
InChIKeyJSAXWOWDIFTVRD-ACXHZZMFSA-N
XLogP5.86
TPSA96.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.94
LogP ≤ 55.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 171978815
2-N-[1-(4-fluorophenyl)ethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 4079235
5-chloro-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-phenoxypyrimidin-2-amine
CID 141416558
4-chloro-N-(1-phenylethylideneamino)aniline
CID 78572712
6-N-benzyl-2-N-[1-(4-bromophenyl)ethylideneamino]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 4166719
2-N-[(Z)-[4-[(Z)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl]methylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 6288005
4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline
CID 146304253
2-chloro-N-[1-(4-methoxyphenyl)ethylideneamino]aniline
CID 84921584
4-N-(2,4-dimethylphenyl)-6-N-phenyl-2-N-(1-phenylethylideneamino)-1,3,5-triazine-2,4,6-triamine
CID 78460794
2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 135419565
4-[(E)-N-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 135636683
4-[N-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 4082314

Frequently Asked Questions

What is the IUPAC name of 2-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine (CID 6176095) is 2-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine is COc1ccc(Nc2nc(N/N=C(/C)c3ccc(Cl)cc3)nc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 2-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is JSAXWOWDIFTVRD-ACXHZZMFSA-N. The full InChI is InChI=1S/C24H22ClN7O/c1-16(17-8-10-18(25)11-9-17)31-32-24-29-22(26-19-6-4-3-5-7-19)28-23(30-24)27-20-12-14-21(33-2)15-13-20/h3-15H,1-2H3,(H3,26,27,28,29,30,32)/b31-16-.
What are the key properties of 2-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine?
2-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 459.94 g/mol, XLogP of 5.86, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 6176095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).