4-(4-naphthalen-1-ylphenyl)-3-phenylaniline

C28H21N — CID 153294004

IUPAC4-(4-naphthalen-1-ylphenyl)-3-phenylaniline
SMILESNc1ccc(-c2ccc(-c3cccc4ccccc34)cc2)c(-c2ccccc2)c1
InChIInChI=1S/C28H21N/c29-24-17-18-27(28(19-24)21-7-2-1-3-8-21)23-15-13-22(14-16-23)26-12-6-10-20-9-4-5-11-25(20)26/h1-19H,29H2
InChIKeyYLZWNFNHKZSYOA-UHFFFAOYSA-N
MW371.48 g/mol
LogP7.42
Rot. Bonds3

About 4-(4-naphthalen-1-ylphenyl)-3-phenylaniline

4-(4-naphthalen-1-ylphenyl)-3-phenylaniline (PubChem CID 153294004) has the molecular formula C28H21N and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-(4-naphthalen-1-ylphenyl)-3-phenylaniline.

Molecular Properties

Compound Name4-(4-naphthalen-1-ylphenyl)-3-phenylaniline
PubChem CID153294004
Molecular FormulaC28H21N
Molecular Weight371.48 g/mol
Exact Mass371.17
IUPAC Name4-(4-naphthalen-1-ylphenyl)-3-phenylaniline
SMILESNc1ccc(-c2ccc(-c3cccc4ccccc34)cc2)c(-c2ccccc2)c1
InChIInChI=1S/C28H21N/c29-24-17-18-27(28(19-24)21-7-2-1-3-8-21)23-15-13-22(14-16-23)26-12-6-10-20-9-4-5-11-25(20)26/h1-19H,29H2
InChIKeyYLZWNFNHKZSYOA-UHFFFAOYSA-N
XLogP7.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(4-naphthalen-1-ylphenyl)-3-phenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-naphthalen-1-ylphenyl)aniline
CID 154675291
5-phenylnaphthalen-2-amine
CID 66729016
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367
4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 167297413
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 164831821
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
9-(5-naphthalen-1-yl-2-phenylphenyl)-10-phenylanthracene
CID 141366540
3-(4-bromophenyl)-4-phenylaniline
CID 142474025
9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
CID 121321735
1-[4-naphthalen-1-yl-3-(3-phenyl-4-pyren-1-ylphenyl)phenyl]pyrene
CID 169303234
1-(4-chloro-2-phenylphenyl)naphthalene
CID 163255490
2-(2,5-diphenylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297414

Frequently Asked Questions

What is the IUPAC name of 4-(4-naphthalen-1-ylphenyl)-3-phenylaniline?
The IUPAC name of 4-(4-naphthalen-1-ylphenyl)-3-phenylaniline (CID 153294004) is 4-(4-naphthalen-1-ylphenyl)-3-phenylaniline.
What is the SMILES notation for 4-(4-naphthalen-1-ylphenyl)-3-phenylaniline?
The canonical SMILES for 4-(4-naphthalen-1-ylphenyl)-3-phenylaniline is Nc1ccc(-c2ccc(-c3cccc4ccccc34)cc2)c(-c2ccccc2)c1.
What is the InChIKey of 4-(4-naphthalen-1-ylphenyl)-3-phenylaniline?
The InChIKey is YLZWNFNHKZSYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N/c29-24-17-18-27(28(19-24)21-7-2-1-3-8-21)23-15-13-22(14-16-23)26-12-6-10-20-9-4-5-11-25(20)26/h1-19H,29H2.
What are the key properties of 4-(4-naphthalen-1-ylphenyl)-3-phenylaniline?
4-(4-naphthalen-1-ylphenyl)-3-phenylaniline has a molecular weight of 371.48 g/mol, XLogP of 7.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-naphthalen-1-ylphenyl)-3-phenylaniline is sourced from PubChem (CID 153294004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).