4-[4-(4-aminophenyl)phenyl]-3-(3-phenylphenyl)aniline

C30H24N2 — CID 150238905

IUPAC4-[4-(4-aminophenyl)phenyl]-3-(3-phenylphenyl)aniline
SMILESNc1ccc(-c2ccc(-c3ccc(N)cc3-c3cccc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C30H24N2/c31-27-15-13-23(14-16-27)22-9-11-24(12-10-22)29-18-17-28(32)20-30(29)26-8-4-7-25(19-26)21-5-2-1-3-6-21/h1-20H,31-32H2
InChIKeyFXCIHQUPKOVFTK-UHFFFAOYSA-N
MW412.54 g/mol
LogP7.52
Rot. Bonds4

About 4-[4-(4-aminophenyl)phenyl]-3-(3-phenylphenyl)aniline

4-[4-(4-aminophenyl)phenyl]-3-(3-phenylphenyl)aniline (PubChem CID 150238905) has the molecular formula C30H24N2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 4-[4-(4-aminophenyl)phenyl]-3-(3-phenylphenyl)aniline.

Molecular Properties

Compound Name4-[4-(4-aminophenyl)phenyl]-3-(3-phenylphenyl)aniline
PubChem CID150238905
Molecular FormulaC30H24N2
Molecular Weight412.54 g/mol
Exact Mass412.19
IUPAC Name4-[4-(4-aminophenyl)phenyl]-3-(3-phenylphenyl)aniline
SMILESNc1ccc(-c2ccc(-c3ccc(N)cc3-c3cccc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C30H24N2/c31-27-15-13-23(14-16-27)22-9-11-24(12-10-22)29-18-17-28(32)20-30(29)26-8-4-7-25(19-26)21-5-2-1-3-6-21/h1-20H,31-32H2
InChIKeyFXCIHQUPKOVFTK-UHFFFAOYSA-N
XLogP7.52
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 57.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-aminophenyl)phenyl]-3-(3-phenylphenyl)aniline?
The IUPAC name of 4-[4-(4-aminophenyl)phenyl]-3-(3-phenylphenyl)aniline (CID 150238905) is 4-[4-(4-aminophenyl)phenyl]-3-(3-phenylphenyl)aniline.
What is the SMILES notation for 4-[4-(4-aminophenyl)phenyl]-3-(3-phenylphenyl)aniline?
The canonical SMILES for 4-[4-(4-aminophenyl)phenyl]-3-(3-phenylphenyl)aniline is Nc1ccc(-c2ccc(-c3ccc(N)cc3-c3cccc(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of 4-[4-(4-aminophenyl)phenyl]-3-(3-phenylphenyl)aniline?
The InChIKey is FXCIHQUPKOVFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2/c31-27-15-13-23(14-16-27)22-9-11-24(12-10-22)29-18-17-28(32)20-30(29)26-8-4-7-25(19-26)21-5-2-1-3-6-21/h1-20H,31-32H2.
What are the key properties of 4-[4-(4-aminophenyl)phenyl]-3-(3-phenylphenyl)aniline?
4-[4-(4-aminophenyl)phenyl]-3-(3-phenylphenyl)aniline has a molecular weight of 412.54 g/mol, XLogP of 7.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-aminophenyl)phenyl]-3-(3-phenylphenyl)aniline is sourced from PubChem (CID 150238905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).