2-N,6-N-bis(2,6-dimethylphenyl)-4-methyl-3-[[3-(1-phenylpropyl)phenyl]diazenyl]pyridine-2,6-diamine

C37H39N5 — CID 58704539

IUPAC2-N,6-N-bis(2,6-dimethylphenyl)-4-methyl-3-[[3-(1-phenylpropyl)phenyl]diazenyl]pyridine-2,6-diamine
SMILESCCC(c1ccccc1)c1cccc(/N=N/c2c(C)cc(Nc3c(C)cccc3C)nc2Nc2c(C)cccc2C)c1
InChIInChI=1S/C37H39N5/c1-7-32(29-18-9-8-10-19-29)30-20-13-21-31(23-30)41-42-36-28(6)22-33(38-34-24(2)14-11-15-25(34)3)39-37(36)40-35-26(4)16-12-17-27(35)5/h8-23,32H,7H2,1-6H3,(H2,38,39,40)/b42-41+
InChIKeyOQWFLKDAUQSJGL-WQVHNPAPSA-N
MW553.75 g/mol
LogP11.07
Rot. Bonds9

About 2-N,6-N-bis(2,6-dimethylphenyl)-4-methyl-3-[[3-(1-phenylpropyl)phenyl]diazenyl]pyridine-2,6-diamine

2-N,6-N-bis(2,6-dimethylphenyl)-4-methyl-3-[[3-(1-phenylpropyl)phenyl]diazenyl]pyridine-2,6-diamine (PubChem CID 58704539) has the molecular formula C37H39N5 and a molecular weight of 553.75 g/mol. Its IUPAC name is 2-N,6-N-bis(2,6-dimethylphenyl)-4-methyl-3-[[3-(1-phenylpropyl)phenyl]diazenyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-bis(2,6-dimethylphenyl)-4-methyl-3-[[3-(1-phenylpropyl)phenyl]diazenyl]pyridine-2,6-diamine
PubChem CID58704539
Molecular FormulaC37H39N5
Molecular Weight553.75 g/mol
Exact Mass553.32
IUPAC Name2-N,6-N-bis(2,6-dimethylphenyl)-4-methyl-3-[[3-(1-phenylpropyl)phenyl]diazenyl]pyridine-2,6-diamine
SMILESCCC(c1ccccc1)c1cccc(/N=N/c2c(C)cc(Nc3c(C)cccc3C)nc2Nc2c(C)cccc2C)c1
InChIInChI=1S/C37H39N5/c1-7-32(29-18-9-8-10-19-29)30-20-13-21-31(23-30)41-42-36-28(6)22-33(38-34-24(2)14-11-15-25(34)3)39-37(36)40-35-26(4)16-12-17-27(35)5/h8-23,32H,7H2,1-6H3,(H2,38,39,40)/b42-41+
InChIKeyOQWFLKDAUQSJGL-WQVHNPAPSA-N
XLogP11.07
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.75
LogP ≤ 511.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-N,6-N-bis(2,6-dimethylphenyl)-4-methyl-3-[[3-(1-phenylpropyl)phenyl]diazenyl]pyridine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(2,6-dimethylphenyl)-4-methyl-3-[[3-(1-phenylpropyl)phenyl]diazenyl]pyridine-2,6-diamine?
The IUPAC name of 2-N,6-N-bis(2,6-dimethylphenyl)-4-methyl-3-[[3-(1-phenylpropyl)phenyl]diazenyl]pyridine-2,6-diamine (CID 58704539) is 2-N,6-N-bis(2,6-dimethylphenyl)-4-methyl-3-[[3-(1-phenylpropyl)phenyl]diazenyl]pyridine-2,6-diamine.
What is the SMILES notation for 2-N,6-N-bis(2,6-dimethylphenyl)-4-methyl-3-[[3-(1-phenylpropyl)phenyl]diazenyl]pyridine-2,6-diamine?
The canonical SMILES for 2-N,6-N-bis(2,6-dimethylphenyl)-4-methyl-3-[[3-(1-phenylpropyl)phenyl]diazenyl]pyridine-2,6-diamine is CCC(c1ccccc1)c1cccc(/N=N/c2c(C)cc(Nc3c(C)cccc3C)nc2Nc2c(C)cccc2C)c1.
What is the InChIKey of 2-N,6-N-bis(2,6-dimethylphenyl)-4-methyl-3-[[3-(1-phenylpropyl)phenyl]diazenyl]pyridine-2,6-diamine?
The InChIKey is OQWFLKDAUQSJGL-WQVHNPAPSA-N. The full InChI is InChI=1S/C37H39N5/c1-7-32(29-18-9-8-10-19-29)30-20-13-21-31(23-30)41-42-36-28(6)22-33(38-34-24(2)14-11-15-25(34)3)39-37(36)40-35-26(4)16-12-17-27(35)5/h8-23,32H,7H2,1-6H3,(H2,38,39,40)/b42-41+.
What are the key properties of 2-N,6-N-bis(2,6-dimethylphenyl)-4-methyl-3-[[3-(1-phenylpropyl)phenyl]diazenyl]pyridine-2,6-diamine?
2-N,6-N-bis(2,6-dimethylphenyl)-4-methyl-3-[[3-(1-phenylpropyl)phenyl]diazenyl]pyridine-2,6-diamine has a molecular weight of 553.75 g/mol, XLogP of 11.07, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(2,6-dimethylphenyl)-4-methyl-3-[[3-(1-phenylpropyl)phenyl]diazenyl]pyridine-2,6-diamine is sourced from PubChem (CID 58704539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).