4-(4-aminophenyl)-2,3-diphenylaniline

C24H20N2 — CID 22061811

IUPAC4-(4-aminophenyl)-2,3-diphenylaniline
SMILESNc1ccc(-c2ccc(N)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C24H20N2/c25-20-13-11-17(12-14-20)21-15-16-22(26)24(19-9-5-2-6-10-19)23(21)18-7-3-1-4-8-18/h1-16H,25-26H2
InChIKeyPMVRHMKYOMJWSD-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.85
Rot. Bonds3

About 4-(4-aminophenyl)-2,3-diphenylaniline

4-(4-aminophenyl)-2,3-diphenylaniline (PubChem CID 22061811) has the molecular formula C24H20N2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-(4-aminophenyl)-2,3-diphenylaniline.

Molecular Properties

Compound Name4-(4-aminophenyl)-2,3-diphenylaniline
PubChem CID22061811
Molecular FormulaC24H20N2
Molecular Weight336.44 g/mol
Exact Mass336.16
IUPAC Name4-(4-aminophenyl)-2,3-diphenylaniline
SMILESNc1ccc(-c2ccc(N)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C24H20N2/c25-20-13-11-17(12-14-20)21-15-16-22(26)24(19-9-5-2-6-10-19)23(21)18-7-3-1-4-8-18/h1-16H,25-26H2
InChIKeyPMVRHMKYOMJWSD-UHFFFAOYSA-N
XLogP5.85
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(4-aminophenyl)-2,3-diphenylaniline 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-(4-aminophenyl)-2,3-diphenylaniline?
The IUPAC name of 4-(4-aminophenyl)-2,3-diphenylaniline (CID 22061811) is 4-(4-aminophenyl)-2,3-diphenylaniline.
What is the SMILES notation for 4-(4-aminophenyl)-2,3-diphenylaniline?
The canonical SMILES for 4-(4-aminophenyl)-2,3-diphenylaniline is Nc1ccc(-c2ccc(N)c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-aminophenyl)-2,3-diphenylaniline?
The InChIKey is PMVRHMKYOMJWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2/c25-20-13-11-17(12-14-20)21-15-16-22(26)24(19-9-5-2-6-10-19)23(21)18-7-3-1-4-8-18/h1-16H,25-26H2.
What are the key properties of 4-(4-aminophenyl)-2,3-diphenylaniline?
4-(4-aminophenyl)-2,3-diphenylaniline has a molecular weight of 336.44 g/mol, XLogP of 5.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-2,3-diphenylaniline is sourced from PubChem (CID 22061811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).