4-[(Z)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(2-methylphenyl)-N-(3-methylphenyl)aniline

C34H31N3 — CID 6437788

IUPAC4-[(Z)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(2-methylphenyl)-N-(3-methylphenyl)aniline
SMILESCc1cccc(N(c2ccc(/C=N\N(c3ccccc3)c3ccccc3)c(C)c2)c2ccccc2C)c1
InChIInChI=1S/C34H31N3/c1-26-13-12-19-32(23-26)36(34-20-11-10-14-27(34)2)33-22-21-29(28(3)24-33)25-35-37(30-15-6-4-7-16-30)31-17-8-5-9-18-31/h4-25H,1-3H3/b35-25-
InChIKeyQIADZUBOLWKPLB-CKWSZQMZSA-N
MW481.64 g/mol
LogP9.25
Rot. Bonds7

About 4-[(Z)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(2-methylphenyl)-N-(3-methylphenyl)aniline

4-[(Z)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(2-methylphenyl)-N-(3-methylphenyl)aniline (PubChem CID 6437788) has the molecular formula C34H31N3 and a molecular weight of 481.64 g/mol. Its IUPAC name is 4-[(Z)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(2-methylphenyl)-N-(3-methylphenyl)aniline.

Molecular Properties

Compound Name4-[(Z)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(2-methylphenyl)-N-(3-methylphenyl)aniline
PubChem CID6437788
Molecular FormulaC34H31N3
Molecular Weight481.64 g/mol
Exact Mass481.25
IUPAC Name4-[(Z)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(2-methylphenyl)-N-(3-methylphenyl)aniline
SMILESCc1cccc(N(c2ccc(/C=N\N(c3ccccc3)c3ccccc3)c(C)c2)c2ccccc2C)c1
InChIInChI=1S/C34H31N3/c1-26-13-12-19-32(23-26)36(34-20-11-10-14-27(34)2)33-22-21-29(28(3)24-33)25-35-37(30-15-6-4-7-16-30)31-17-8-5-9-18-31/h4-25H,1-3H3/b35-25-
InChIKeyQIADZUBOLWKPLB-CKWSZQMZSA-N
XLogP9.25
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.64
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(Z)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(2-methylphenyl)-N-(3-methylphenyl)aniline 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-[(Z)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(2-methylphenyl)-N-(3-methylphenyl)aniline?
The IUPAC name of 4-[(Z)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(2-methylphenyl)-N-(3-methylphenyl)aniline (CID 6437788) is 4-[(Z)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(2-methylphenyl)-N-(3-methylphenyl)aniline.
What is the SMILES notation for 4-[(Z)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(2-methylphenyl)-N-(3-methylphenyl)aniline?
The canonical SMILES for 4-[(Z)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(2-methylphenyl)-N-(3-methylphenyl)aniline is Cc1cccc(N(c2ccc(/C=N\N(c3ccccc3)c3ccccc3)c(C)c2)c2ccccc2C)c1.
What is the InChIKey of 4-[(Z)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(2-methylphenyl)-N-(3-methylphenyl)aniline?
The InChIKey is QIADZUBOLWKPLB-CKWSZQMZSA-N. The full InChI is InChI=1S/C34H31N3/c1-26-13-12-19-32(23-26)36(34-20-11-10-14-27(34)2)33-22-21-29(28(3)24-33)25-35-37(30-15-6-4-7-16-30)31-17-8-5-9-18-31/h4-25H,1-3H3/b35-25-.
What are the key properties of 4-[(Z)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(2-methylphenyl)-N-(3-methylphenyl)aniline?
4-[(Z)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(2-methylphenyl)-N-(3-methylphenyl)aniline has a molecular weight of 481.64 g/mol, XLogP of 9.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-(diphenylhydrazinylidene)methyl]-3-methyl-N-(2-methylphenyl)-N-(3-methylphenyl)aniline is sourced from PubChem (CID 6437788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).