4-(3-naphthalen-1-yl-4-phenylphenyl)-N,N-diphenylaniline

C40H29N — CID 164831564

IUPAC4-(3-naphthalen-1-yl-4-phenylphenyl)-N,N-diphenylaniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2-c2cccc3ccccc23)cc1
InChIInChI=1S/C40H29N/c1-4-13-31(14-5-1)38-28-25-33(29-40(38)39-22-12-16-32-15-10-11-21-37(32)39)30-23-26-36(27-24-30)41(34-17-6-2-7-18-34)35-19-8-3-9-20-35/h1-29H
InChIKeyIIHXOXCPMZZZJM-UHFFFAOYSA-N
MW523.68 g/mol
LogP11.31
Rot. Bonds6

About 4-(3-naphthalen-1-yl-4-phenylphenyl)-N,N-diphenylaniline

4-(3-naphthalen-1-yl-4-phenylphenyl)-N,N-diphenylaniline (PubChem CID 164831564) has the molecular formula C40H29N and a molecular weight of 523.68 g/mol. Its IUPAC name is 4-(3-naphthalen-1-yl-4-phenylphenyl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(3-naphthalen-1-yl-4-phenylphenyl)-N,N-diphenylaniline
PubChem CID164831564
Molecular FormulaC40H29N
Molecular Weight523.68 g/mol
Exact Mass523.23
IUPAC Name4-(3-naphthalen-1-yl-4-phenylphenyl)-N,N-diphenylaniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2-c2cccc3ccccc23)cc1
InChIInChI=1S/C40H29N/c1-4-13-31(14-5-1)38-28-25-33(29-40(38)39-22-12-16-32-15-10-11-21-37(32)39)30-23-26-36(27-24-30)41(34-17-6-2-7-18-34)35-19-8-3-9-20-35/h1-29H
InChIKeyIIHXOXCPMZZZJM-UHFFFAOYSA-N
XLogP11.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.68
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(3-naphthalen-1-yl-4-phenylphenyl)-N,N-diphenylaniline 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

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
4-(3-naphthalen-1-yl-4-phenylphenyl)-N-phenyl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline
CID 164831835
N-(3,4-diphenylphenyl)-N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]naphthalen-1-amine
CID 164832008
N-[4-(2,5-diphenylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;N-[4-(2-naphthalen-1-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;N-[4-(2-naphthalen-2-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 160767900
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
N-[4-(3,4-diphenylphenyl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167003322
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenanthren-1-ylphenyl)-4-phenylaniline
CID 164831815
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501995
N-[4-(3,4-diphenylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527395
N-[3-(2,4-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine
CID 166659579

Frequently Asked Questions

What is the IUPAC name of 4-(3-naphthalen-1-yl-4-phenylphenyl)-N,N-diphenylaniline?
The IUPAC name of 4-(3-naphthalen-1-yl-4-phenylphenyl)-N,N-diphenylaniline (CID 164831564) is 4-(3-naphthalen-1-yl-4-phenylphenyl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(3-naphthalen-1-yl-4-phenylphenyl)-N,N-diphenylaniline?
The canonical SMILES for 4-(3-naphthalen-1-yl-4-phenylphenyl)-N,N-diphenylaniline is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2-c2cccc3ccccc23)cc1.
What is the InChIKey of 4-(3-naphthalen-1-yl-4-phenylphenyl)-N,N-diphenylaniline?
The InChIKey is IIHXOXCPMZZZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N/c1-4-13-31(14-5-1)38-28-25-33(29-40(38)39-22-12-16-32-15-10-11-21-37(32)39)30-23-26-36(27-24-30)41(34-17-6-2-7-18-34)35-19-8-3-9-20-35/h1-29H.
What are the key properties of 4-(3-naphthalen-1-yl-4-phenylphenyl)-N,N-diphenylaniline?
4-(3-naphthalen-1-yl-4-phenylphenyl)-N,N-diphenylaniline has a molecular weight of 523.68 g/mol, XLogP of 11.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-naphthalen-1-yl-4-phenylphenyl)-N,N-diphenylaniline is sourced from PubChem (CID 164831564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).