4-(4-bromophenyl)-N,N-diphenylaniline

C24H18BrN — CID 11315550

IUPAC4-(4-bromophenyl)-N,N-diphenylaniline
SMILESBrc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H18BrN/c25-21-15-11-19(12-16-21)20-13-17-24(18-14-20)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-18H
InChIKeyNKCKVJVKWGWKRK-UHFFFAOYSA-N
MW400.32 g/mol
LogP7.59
Rot. Bonds4

About 4-(4-bromophenyl)-N,N-diphenylaniline

4-(4-bromophenyl)-N,N-diphenylaniline (PubChem CID 11315550) has the molecular formula C24H18BrN and a molecular weight of 400.32 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(4-bromophenyl)-N,N-diphenylaniline
PubChem CID11315550
Molecular FormulaC24H18BrN
Molecular Weight400.32 g/mol
Exact Mass399.06
IUPAC Name4-(4-bromophenyl)-N,N-diphenylaniline
SMILESBrc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H18BrN/c25-21-15-11-19(12-16-21)20-13-17-24(18-14-20)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-18H
InChIKeyNKCKVJVKWGWKRK-UHFFFAOYSA-N
XLogP7.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.32
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(4-bromophenyl)-N,N-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-bromophenyl)-N,N-diphenylaniline?
The IUPAC name of 4-(4-bromophenyl)-N,N-diphenylaniline (CID 11315550) is 4-(4-bromophenyl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(4-bromophenyl)-N,N-diphenylaniline?
The canonical SMILES for 4-(4-bromophenyl)-N,N-diphenylaniline is Brc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N,N-diphenylaniline?
The InChIKey is NKCKVJVKWGWKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrN/c25-21-15-11-19(12-16-21)20-13-17-24(18-14-20)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-18H.
What are the key properties of 4-(4-bromophenyl)-N,N-diphenylaniline?
4-(4-bromophenyl)-N,N-diphenylaniline has a molecular weight of 400.32 g/mol, XLogP of 7.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N,N-diphenylaniline is sourced from PubChem (CID 11315550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).