4-N-[4-[[4-[[4-(3,5-dimethylanilino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]phenyl]-2-N-(3,5-dimethylphenyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine

C36H38N14 — CID 102307503

IUPAC4-N-[4-[[4-[[4-(3,5-dimethylanilino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]phenyl]-2-N-(3,5-dimethylphenyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(Nc2ccc(/N=N/c3ccc(Nc4nc(NC)nc(Nc5cc(C)cc(C)c5)n4)cc3)cc2)nc(Nc2cc(C)cc(C)c2)n1
InChIInChI=1S/C36H38N14/c1-21-15-22(2)18-29(17-21)41-35-45-31(37-5)43-33(47-35)39-25-7-11-27(12-8-25)49-50-28-13-9-26(10-14-28)40-34-44-32(38-6)46-36(48-34)42-30-19-23(3)16-24(4)20-30/h7-20H,1-6H3,(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48)/b50-49+
InChIKeyPNBJPGRPQRERRA-BNEIJSFPSA-N
MW666.80 g/mol
LogP8.76
Rot. Bonds12

About 4-N-[4-[[4-[[4-(3,5-dimethylanilino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]phenyl]-2-N-(3,5-dimethylphenyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine

4-N-[4-[[4-[[4-(3,5-dimethylanilino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]phenyl]-2-N-(3,5-dimethylphenyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 102307503) has the molecular formula C36H38N14 and a molecular weight of 666.80 g/mol. Its IUPAC name is 4-N-[4-[[4-[[4-(3,5-dimethylanilino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]phenyl]-2-N-(3,5-dimethylphenyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[4-[[4-[[4-(3,5-dimethylanilino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]phenyl]-2-N-(3,5-dimethylphenyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID102307503
Molecular FormulaC36H38N14
Molecular Weight666.80 g/mol
Exact Mass666.34
IUPAC Name4-N-[4-[[4-[[4-(3,5-dimethylanilino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]phenyl]-2-N-(3,5-dimethylphenyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(Nc2ccc(/N=N/c3ccc(Nc4nc(NC)nc(Nc5cc(C)cc(C)c5)n4)cc3)cc2)nc(Nc2cc(C)cc(C)c2)n1
InChIInChI=1S/C36H38N14/c1-21-15-22(2)18-29(17-21)41-35-45-31(37-5)43-33(47-35)39-25-7-11-27(12-8-25)49-50-28-13-9-26(10-14-28)40-34-44-32(38-6)46-36(48-34)42-30-19-23(3)16-24(4)20-30/h7-20H,1-6H3,(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48)/b50-49+
InChIKeyPNBJPGRPQRERRA-BNEIJSFPSA-N
XLogP8.76
TPSA174.24 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500666.80
LogP ≤ 58.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4-N-[4-[[4-[[4-(3,5-dimethylanilino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]phenyl]-2-N-(3,5-dimethylphenyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

2-N,2-N,6-N-trimethyl-4-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 90346186
2-N,4-N-bis[4-[(3,5-dimethylphenyl)diazenyl]phenyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 20762407
N-(3,5-dimethylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine
CID 134173031
2-N,4-N-bis(3,5-dimethylphenyl)-6-N-ethyl-1,3,5-triazine-2,4,6-triamine
CID 102301037
2-N-(3-bromo-5-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 107580965
2-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 101453864
5-chloro-N-[2,6-dichloro-4-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]diazenyl]phenyl]-4,6-dimethylpyrimidin-2-amine
CID 162345185
2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 12655286
2-N,4-N-bis(3,5-dimethylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 18584592
6-chloro-2-N-(2-methyl-4-phenyldiazenylphenyl)-4-N-[4-(naphthalen-2-yldiazenyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 89037912
6-chloro-4-N-methyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80760168
2-N-(3,5-dimethylphenyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112902638

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[[4-[[4-(3,5-dimethylanilino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]phenyl]-2-N-(3,5-dimethylphenyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[4-[[4-[[4-(3,5-dimethylanilino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]phenyl]-2-N-(3,5-dimethylphenyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 102307503) is 4-N-[4-[[4-[[4-(3,5-dimethylanilino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]phenyl]-2-N-(3,5-dimethylphenyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[4-[[4-[[4-(3,5-dimethylanilino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]phenyl]-2-N-(3,5-dimethylphenyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[4-[[4-[[4-(3,5-dimethylanilino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]phenyl]-2-N-(3,5-dimethylphenyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine is CNc1nc(Nc2ccc(/N=N/c3ccc(Nc4nc(NC)nc(Nc5cc(C)cc(C)c5)n4)cc3)cc2)nc(Nc2cc(C)cc(C)c2)n1.
What is the InChIKey of 4-N-[4-[[4-[[4-(3,5-dimethylanilino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]phenyl]-2-N-(3,5-dimethylphenyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is PNBJPGRPQRERRA-BNEIJSFPSA-N. The full InChI is InChI=1S/C36H38N14/c1-21-15-22(2)18-29(17-21)41-35-45-31(37-5)43-33(47-35)39-25-7-11-27(12-8-25)49-50-28-13-9-26(10-14-28)40-34-44-32(38-6)46-36(48-34)42-30-19-23(3)16-24(4)20-30/h7-20H,1-6H3,(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48)/b50-49+.
What are the key properties of 4-N-[4-[[4-[[4-(3,5-dimethylanilino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]phenyl]-2-N-(3,5-dimethylphenyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
4-N-[4-[[4-[[4-(3,5-dimethylanilino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]phenyl]-2-N-(3,5-dimethylphenyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 666.80 g/mol, XLogP of 8.76, 12 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[[4-[[4-(3,5-dimethylanilino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]phenyl]-2-N-(3,5-dimethylphenyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 102307503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).