4-[4-(2-phenylphenyl)phenyl]aniline

C24H19N — CID 167431375

IUPAC4-[4-(2-phenylphenyl)phenyl]aniline
SMILESNc1ccc(-c2ccc(-c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H19N/c25-22-16-14-19(15-17-22)18-10-12-21(13-11-18)24-9-5-4-8-23(24)20-6-2-1-3-7-20/h1-17H,25H2
InChIKeyMPMRXBAIPYJJJO-UHFFFAOYSA-N
MW321.42 g/mol
LogP6.27
Rot. Bonds3

About 4-[4-(2-phenylphenyl)phenyl]aniline

4-[4-(2-phenylphenyl)phenyl]aniline (PubChem CID 167431375) has the molecular formula C24H19N and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-[4-(2-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name4-[4-(2-phenylphenyl)phenyl]aniline
PubChem CID167431375
Molecular FormulaC24H19N
Molecular Weight321.42 g/mol
Exact Mass321.15
IUPAC Name4-[4-(2-phenylphenyl)phenyl]aniline
SMILESNc1ccc(-c2ccc(-c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H19N/c25-22-16-14-19(15-17-22)18-10-12-21(13-11-18)24-9-5-4-8-23(24)20-6-2-1-3-7-20/h1-17H,25H2
InChIKeyMPMRXBAIPYJJJO-UHFFFAOYSA-N
XLogP6.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 56.27
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 4-[4-(2-phenylphenyl)phenyl]aniline?
The IUPAC name of 4-[4-(2-phenylphenyl)phenyl]aniline (CID 167431375) is 4-[4-(2-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 4-[4-(2-phenylphenyl)phenyl]aniline?
The canonical SMILES for 4-[4-(2-phenylphenyl)phenyl]aniline is Nc1ccc(-c2ccc(-c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[4-(2-phenylphenyl)phenyl]aniline?
The InChIKey is MPMRXBAIPYJJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N/c25-22-16-14-19(15-17-22)18-10-12-21(13-11-18)24-9-5-4-8-23(24)20-6-2-1-3-7-20/h1-17H,25H2.
What are the key properties of 4-[4-(2-phenylphenyl)phenyl]aniline?
4-[4-(2-phenylphenyl)phenyl]aniline has a molecular weight of 321.42 g/mol, XLogP of 6.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 167431375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).