3-(4-bromophenyl)-4-phenylaniline

C18H14BrN — CID 142474025

IUPAC3-(4-bromophenyl)-4-phenylaniline
SMILESNc1ccc(-c2ccccc2)c(-c2ccc(Br)cc2)c1
InChIInChI=1S/C18H14BrN/c19-15-8-6-14(7-9-15)18-12-16(20)10-11-17(18)13-4-2-1-3-5-13/h1-12H,20H2
InChIKeyCOHXQCRGCUFUFK-UHFFFAOYSA-N
MW324.22 g/mol
LogP5.37
Rot. Bonds2

About 3-(4-bromophenyl)-4-phenylaniline

3-(4-bromophenyl)-4-phenylaniline (PubChem CID 142474025) has the molecular formula C18H14BrN and a molecular weight of 324.22 g/mol. Its IUPAC name is 3-(4-bromophenyl)-4-phenylaniline.

Molecular Properties

Compound Name3-(4-bromophenyl)-4-phenylaniline
PubChem CID142474025
Molecular FormulaC18H14BrN
Molecular Weight324.22 g/mol
Exact Mass323.03
IUPAC Name3-(4-bromophenyl)-4-phenylaniline
SMILESNc1ccc(-c2ccccc2)c(-c2ccc(Br)cc2)c1
InChIInChI=1S/C18H14BrN/c19-15-8-6-14(7-9-15)18-12-16(20)10-11-17(18)13-4-2-1-3-5-13/h1-12H,20H2
InChIKeyCOHXQCRGCUFUFK-UHFFFAOYSA-N
XLogP5.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.22
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-4-phenylaniline?
The IUPAC name of 3-(4-bromophenyl)-4-phenylaniline (CID 142474025) is 3-(4-bromophenyl)-4-phenylaniline.
What is the SMILES notation for 3-(4-bromophenyl)-4-phenylaniline?
The canonical SMILES for 3-(4-bromophenyl)-4-phenylaniline is Nc1ccc(-c2ccccc2)c(-c2ccc(Br)cc2)c1.
What is the InChIKey of 3-(4-bromophenyl)-4-phenylaniline?
The InChIKey is COHXQCRGCUFUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN/c19-15-8-6-14(7-9-15)18-12-16(20)10-11-17(18)13-4-2-1-3-5-13/h1-12H,20H2.
What are the key properties of 3-(4-bromophenyl)-4-phenylaniline?
3-(4-bromophenyl)-4-phenylaniline has a molecular weight of 324.22 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-4-phenylaniline is sourced from PubChem (CID 142474025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).