3-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline

C44H31N — CID 166769727

IUPAC3-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
SMILESc1ccc(-c2ccc(Nc3ccc(-c4ccc5ccccc5c4)cc3)cc2-c2ccc(-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C44H31N/c1-2-10-33(11-3-1)43-28-27-40(45-39-25-23-32(24-26-39)38-22-17-31-9-4-5-13-37(31)29-38)30-44(43)36-20-18-35(19-21-36)42-16-8-14-34-12-6-7-15-41(34)42/h1-30,45H
InChIKeyUIRICLTUGBQYKL-UHFFFAOYSA-N
MW573.74 g/mol
LogP12.40
Rot. Bonds6

About 3-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline

3-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline (PubChem CID 166769727) has the molecular formula C44H31N and a molecular weight of 573.74 g/mol. Its IUPAC name is 3-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline.

Molecular Properties

Compound Name3-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
PubChem CID166769727
Molecular FormulaC44H31N
Molecular Weight573.74 g/mol
Exact Mass573.25
IUPAC Name3-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
SMILESc1ccc(-c2ccc(Nc3ccc(-c4ccc5ccccc5c4)cc3)cc2-c2ccc(-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C44H31N/c1-2-10-33(11-3-1)43-28-27-40(45-39-25-23-32(24-26-39)38-22-17-31-9-4-5-13-37(31)29-38)30-44(43)36-20-18-35(19-21-36)42-16-8-14-34-12-6-7-15-41(34)42/h1-30,45H
InChIKeyUIRICLTUGBQYKL-UHFFFAOYSA-N
XLogP12.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.74
LogP ≤ 512.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-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

N-(4-naphthalen-2-ylphenyl)-3-phenyl-4-(3-phenylphenyl)aniline
CID 166769723
N-[4-[2-naphthalen-1-yl-4-(naphthalen-2-ylamino)phenyl]phenyl]naphthalen-2-amine
CID 141423625
7-naphthalen-1-yl-N-phenylnaphthalen-2-amine
CID 166714630
1-[4-[3-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]naphthalene
CID 168844837
4-phenanthren-3-yl-N,3-diphenylaniline
CID 177300604
N-[4-(3,4-diphenylphenyl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167003322
1,3-diphenylbenzene;ethane;1-phenylnaphthalene;2-phenylnaphthalene
CID 157179117
N,N-bis(4-naphthalen-1-ylphenyl)-3,4-diphenylaniline;N,N-bis(4-naphthalen-1-ylphenyl)-3-phenyl-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 157345301
4-[4-[4-[6-[4-(4-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)-3-phenylphenyl]anilino)phenyl]naphthalen-1-yl]phenyl]phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)-3-phenylaniline
CID 146496903
6-phenanthren-9-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 169007580
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
1-(3-naphthalen-2-ylphenyl)-6-[3-[3-[3-(6-phenylpyren-1-yl)phenyl]phenyl]phenyl]pyrene;1-(3-naphthalen-2-ylphenyl)-6-[3-[3-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-(4-naphthalen-1-ylphenyl)-6-[4-[3-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[2-[2-(3-pyren-1-ylphenyl)phenyl]phenyl]phenyl]pyrene;1-[4-[2-[2-(4-pyren-1-ylphenyl)phenyl]phenyl]phenyl]pyrene;1-[3-[3-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 159994110

Frequently Asked Questions

What is the IUPAC name of 3-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline?
The IUPAC name of 3-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline (CID 166769727) is 3-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline.
What is the SMILES notation for 3-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline?
The canonical SMILES for 3-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline is c1ccc(-c2ccc(Nc3ccc(-c4ccc5ccccc5c4)cc3)cc2-c2ccc(-c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of 3-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline?
The InChIKey is UIRICLTUGBQYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N/c1-2-10-33(11-3-1)43-28-27-40(45-39-25-23-32(24-26-39)38-22-17-31-9-4-5-13-37(31)29-38)30-44(43)36-20-18-35(19-21-36)42-16-8-14-34-12-6-7-15-41(34)42/h1-30,45H.
What are the key properties of 3-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline?
3-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline has a molecular weight of 573.74 g/mol, XLogP of 12.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline is sourced from PubChem (CID 166769727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).