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

C40H36N14O2 — CID 6288005

IUPAC2-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
SMILESCOc1ccc(Nc2nc(N/N=C\c3ccc(/C=N\Nc4nc(Nc5ccccc5)nc(Nc5ccc(OC)cc5)n4)cc3)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C40H36N14O2/c1-55-33-21-17-31(18-22-33)45-37-47-35(43-29-9-5-3-6-10-29)49-39(51-37)53-41-25-27-13-15-28(16-14-27)26-42-54-40-50-36(44-30-11-7-4-8-12-30)48-38(52-40)46-32-19-23-34(56-2)24-20-32/h3-26H,1-2H3,(H3,43,45,47,49,51,53)(H3,44,46,48,50,52,54)/b41-25-,42-26-
InChIKeySEPAPGDBSXCCHF-ZHEAWEGVSA-N
MW744.82 g/mol
LogP7.94
Rot. Bonds16

About 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

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 (PubChem CID 6288005) has the molecular formula C40H36N14O2 and a molecular weight of 744.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID6288005
Molecular FormulaC40H36N14O2
Molecular Weight744.82 g/mol
Exact Mass744.31
IUPAC Name2-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
SMILESCOc1ccc(Nc2nc(N/N=C\c3ccc(/C=N\Nc4nc(Nc5ccccc5)nc(Nc5ccc(OC)cc5)n4)cc3)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C40H36N14O2/c1-55-33-21-17-31(18-22-33)45-37-47-35(43-29-9-5-3-6-10-29)49-39(51-37)53-41-25-27-13-15-28(16-14-27)26-42-54-40-50-36(44-30-11-7-4-8-12-30)48-38(52-40)46-32-19-23-34(56-2)24-20-32/h3-26H,1-2H3,(H3,43,45,47,49,51,53)(H3,44,46,48,50,52,54)/b41-25-,42-26-
InChIKeySEPAPGDBSXCCHF-ZHEAWEGVSA-N
XLogP7.94
TPSA192.70 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms56
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500744.82
LogP ≤ 57.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-N,4-N-bis[(4-methoxyphenyl)methylideneamino]-6-N-phenylpyrimidine-2,4,6-triamine
CID 139976229
2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 135419565
4-N-(4-methoxyphenyl)-6-N-(4-nitrophenyl)-2-N-[(4-nitrophenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 3914765
4-[(E)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 135489944
4-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 2861744
2-N-[(E)-benzylideneamino]-6-N-(furan-2-ylmethyl)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 5334418
2-N-[(Z)-benzylideneamino]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine;ethane
CID 91073006
4-[(E)-[[4-anilino-6-(methylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 135722691
6-N-(4-fluorophenyl)-4-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 90484450
2-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 3721350
2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4,6-dibromophenol
CID 135419784
2-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-N-(4-nitrophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 56697815

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(Nc2nc(N/N=C\c3ccc(/C=N\Nc4nc(Nc5ccccc5)nc(Nc5ccc(OC)cc5)n4)cc3)nc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is SEPAPGDBSXCCHF-ZHEAWEGVSA-N. The full InChI is InChI=1S/C40H36N14O2/c1-55-33-21-17-31(18-22-33)45-37-47-35(43-29-9-5-3-6-10-29)49-39(51-37)53-41-25-27-13-15-28(16-14-27)26-42-54-40-50-36(44-30-11-7-4-8-12-30)48-38(52-40)46-32-19-23-34(56-2)24-20-32/h3-26H,1-2H3,(H3,43,45,47,49,51,53)(H3,44,46,48,50,52,54)/b41-25-,42-26-.
What are the key properties of 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?
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 has a molecular weight of 744.82 g/mol, XLogP of 7.94, 16 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 6288005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).