[4-(3,4-dimethylphenyl)-2-methylphenyl]-[4-[tris(4-methylphenyl)methyl]phenyl]diazene

C43H40N2 — CID 102231910

IUPAC[4-(3,4-dimethylphenyl)-2-methylphenyl]-[4-[tris(4-methylphenyl)methyl]phenyl]diazene
SMILESCc1ccc(C(c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(/N=N/c3ccc(-c4ccc(C)c(C)c4)cc3C)cc2)cc1
InChIInChI=1S/C43H40N2/c1-29-7-16-37(17-8-29)43(38-18-9-30(2)10-19-38,39-20-11-31(3)12-21-39)40-22-24-41(25-23-40)44-45-42-26-15-36(28-34(42)6)35-14-13-32(4)33(5)27-35/h7-28H,1-6H3/b45-44+
InChIKeyKMWQJXRIHBKYTM-JQOKOOLQSA-N
MW584.81 g/mol
LogP12.00
Rot. Bonds7

About [4-(3,4-dimethylphenyl)-2-methylphenyl]-[4-[tris(4-methylphenyl)methyl]phenyl]diazene

[4-(3,4-dimethylphenyl)-2-methylphenyl]-[4-[tris(4-methylphenyl)methyl]phenyl]diazene (PubChem CID 102231910) has the molecular formula C43H40N2 and a molecular weight of 584.81 g/mol. Its IUPAC name is [4-(3,4-dimethylphenyl)-2-methylphenyl]-[4-[tris(4-methylphenyl)methyl]phenyl]diazene.

Molecular Properties

Compound Name[4-(3,4-dimethylphenyl)-2-methylphenyl]-[4-[tris(4-methylphenyl)methyl]phenyl]diazene
PubChem CID102231910
Molecular FormulaC43H40N2
Molecular Weight584.81 g/mol
Exact Mass584.32
IUPAC Name[4-(3,4-dimethylphenyl)-2-methylphenyl]-[4-[tris(4-methylphenyl)methyl]phenyl]diazene
SMILESCc1ccc(C(c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(/N=N/c3ccc(-c4ccc(C)c(C)c4)cc3C)cc2)cc1
InChIInChI=1S/C43H40N2/c1-29-7-16-37(17-8-29)43(38-18-9-30(2)10-19-38,39-20-11-31(3)12-21-39)40-22-24-41(25-23-40)44-45-42-26-15-36(28-34(42)6)35-14-13-32(4)33(5)27-35/h7-28H,1-6H3/b45-44+
InChIKeyKMWQJXRIHBKYTM-JQOKOOLQSA-N
XLogP12.00
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.81
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-(3,4-dimethylphenyl)-2-methylphenyl]-[4-[tris(4-methylphenyl)methyl]phenyl]diazene 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 [4-(3,4-dimethylphenyl)-2-methylphenyl]-[4-[tris(4-methylphenyl)methyl]phenyl]diazene?
The IUPAC name of [4-(3,4-dimethylphenyl)-2-methylphenyl]-[4-[tris(4-methylphenyl)methyl]phenyl]diazene (CID 102231910) is [4-(3,4-dimethylphenyl)-2-methylphenyl]-[4-[tris(4-methylphenyl)methyl]phenyl]diazene.
What is the SMILES notation for [4-(3,4-dimethylphenyl)-2-methylphenyl]-[4-[tris(4-methylphenyl)methyl]phenyl]diazene?
The canonical SMILES for [4-(3,4-dimethylphenyl)-2-methylphenyl]-[4-[tris(4-methylphenyl)methyl]phenyl]diazene is Cc1ccc(C(c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(/N=N/c3ccc(-c4ccc(C)c(C)c4)cc3C)cc2)cc1.
What is the InChIKey of [4-(3,4-dimethylphenyl)-2-methylphenyl]-[4-[tris(4-methylphenyl)methyl]phenyl]diazene?
The InChIKey is KMWQJXRIHBKYTM-JQOKOOLQSA-N. The full InChI is InChI=1S/C43H40N2/c1-29-7-16-37(17-8-29)43(38-18-9-30(2)10-19-38,39-20-11-31(3)12-21-39)40-22-24-41(25-23-40)44-45-42-26-15-36(28-34(42)6)35-14-13-32(4)33(5)27-35/h7-28H,1-6H3/b45-44+.
What are the key properties of [4-(3,4-dimethylphenyl)-2-methylphenyl]-[4-[tris(4-methylphenyl)methyl]phenyl]diazene?
[4-(3,4-dimethylphenyl)-2-methylphenyl]-[4-[tris(4-methylphenyl)methyl]phenyl]diazene has a molecular weight of 584.81 g/mol, XLogP of 12.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylphenyl)-2-methylphenyl]-[4-[tris(4-methylphenyl)methyl]phenyl]diazene is sourced from PubChem (CID 102231910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).