3-[6-(3-aminophenyl)-4-[4-(3,5-diphenylphenyl)phenyl]-2-pyridinyl]aniline

C41H31N3 — CID 143332124

IUPAC3-[6-(3-aminophenyl)-4-[4-(3,5-diphenylphenyl)phenyl]-2-pyridinyl]aniline
SMILESNc1cccc(-c2cc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cc(-c3cccc(N)c3)n2)c1
InChIInChI=1S/C41H31N3/c42-38-15-7-13-32(24-38)40-26-37(27-41(44-40)33-14-8-16-39(43)25-33)31-19-17-30(18-20-31)36-22-34(28-9-3-1-4-10-28)21-35(23-36)29-11-5-2-6-12-29/h1-27H,42-43H2
InChIKeyHBTWURVCLXZQGW-UHFFFAOYSA-N
MW565.72 g/mol
LogP10.25
Rot. Bonds6

About 3-[6-(3-aminophenyl)-4-[4-(3,5-diphenylphenyl)phenyl]-2-pyridinyl]aniline

3-[6-(3-aminophenyl)-4-[4-(3,5-diphenylphenyl)phenyl]-2-pyridinyl]aniline (PubChem CID 143332124) has the molecular formula C41H31N3 and a molecular weight of 565.72 g/mol. Its IUPAC name is 3-[6-(3-aminophenyl)-4-[4-(3,5-diphenylphenyl)phenyl]-2-pyridinyl]aniline.

Molecular Properties

Compound Name3-[6-(3-aminophenyl)-4-[4-(3,5-diphenylphenyl)phenyl]-2-pyridinyl]aniline
PubChem CID143332124
Molecular FormulaC41H31N3
Molecular Weight565.72 g/mol
Exact Mass565.25
IUPAC Name3-[6-(3-aminophenyl)-4-[4-(3,5-diphenylphenyl)phenyl]-2-pyridinyl]aniline
SMILESNc1cccc(-c2cc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cc(-c3cccc(N)c3)n2)c1
InChIInChI=1S/C41H31N3/c42-38-15-7-13-32(24-38)40-26-37(27-41(44-40)33-14-8-16-39(43)25-33)31-19-17-30(18-20-31)36-22-34(28-9-3-1-4-10-28)21-35(23-36)29-11-5-2-6-12-29/h1-27H,42-43H2
InChIKeyHBTWURVCLXZQGW-UHFFFAOYSA-N
XLogP10.25
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.72
LogP ≤ 510.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[6-(3-aminophenyl)-4-[4-(3,5-diphenylphenyl)phenyl]-2-pyridinyl]aniline?
The IUPAC name of 3-[6-(3-aminophenyl)-4-[4-(3,5-diphenylphenyl)phenyl]-2-pyridinyl]aniline (CID 143332124) is 3-[6-(3-aminophenyl)-4-[4-(3,5-diphenylphenyl)phenyl]-2-pyridinyl]aniline.
What is the SMILES notation for 3-[6-(3-aminophenyl)-4-[4-(3,5-diphenylphenyl)phenyl]-2-pyridinyl]aniline?
The canonical SMILES for 3-[6-(3-aminophenyl)-4-[4-(3,5-diphenylphenyl)phenyl]-2-pyridinyl]aniline is Nc1cccc(-c2cc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cc(-c3cccc(N)c3)n2)c1.
What is the InChIKey of 3-[6-(3-aminophenyl)-4-[4-(3,5-diphenylphenyl)phenyl]-2-pyridinyl]aniline?
The InChIKey is HBTWURVCLXZQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31N3/c42-38-15-7-13-32(24-38)40-26-37(27-41(44-40)33-14-8-16-39(43)25-33)31-19-17-30(18-20-31)36-22-34(28-9-3-1-4-10-28)21-35(23-36)29-11-5-2-6-12-29/h1-27H,42-43H2.
What are the key properties of 3-[6-(3-aminophenyl)-4-[4-(3,5-diphenylphenyl)phenyl]-2-pyridinyl]aniline?
3-[6-(3-aminophenyl)-4-[4-(3,5-diphenylphenyl)phenyl]-2-pyridinyl]aniline has a molecular weight of 565.72 g/mol, XLogP of 10.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-aminophenyl)-4-[4-(3,5-diphenylphenyl)phenyl]-2-pyridinyl]aniline is sourced from PubChem (CID 143332124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).