5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline

C50H35N — CID 167236235

IUPAC5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline
SMILESc1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccccc2)c2ccc(-c3cccc(-c4cccc5ccccc45)c3)cc2)cc1
InChIInChI=1S/C50H35N/c1-3-14-39(15-4-1)49-33-30-42(48-27-13-19-38-17-8-10-25-46(38)48)35-50(49)51(43-22-5-2-6-23-43)44-31-28-36(29-32-44)40-20-11-21-41(34-40)47-26-12-18-37-16-7-9-24-45(37)47/h1-35H
InChIKeyPGXKQAQKORRMSE-UHFFFAOYSA-N
MW649.84 g/mol
LogP14.13
Rot. Bonds7

About 5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline

5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline (PubChem CID 167236235) has the molecular formula C50H35N and a molecular weight of 649.84 g/mol. Its IUPAC name is 5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline.

Molecular Properties

Compound Name5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline
PubChem CID167236235
Molecular FormulaC50H35N
Molecular Weight649.84 g/mol
Exact Mass649.28
IUPAC Name5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline
SMILESc1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccccc2)c2ccc(-c3cccc(-c4cccc5ccccc45)c3)cc2)cc1
InChIInChI=1S/C50H35N/c1-3-14-39(15-4-1)49-33-30-42(48-27-13-19-38-17-8-10-25-46(38)48)35-50(49)51(43-22-5-2-6-23-43)44-31-28-36(29-32-44)40-20-11-21-41(34-40)47-26-12-18-37-16-7-9-24-45(37)47/h1-35H
InChIKeyPGXKQAQKORRMSE-UHFFFAOYSA-N
XLogP14.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.84
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N,2-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

2-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(4-phenylphenyl)aniline
CID 174305065
5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167236259
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,2-diphenylaniline
CID 167236233
5-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
CID 167236266
5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167236645
5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235721
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(3-phenylphenyl)aniline
CID 167324175
N-(5-naphthalen-1-yl-2-phenylphenyl)-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 167235524
N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline
CID 168846165
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(2-phenylphenyl)aniline
CID 167234762
N-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168846200
N-[4-[4-(N,4-dinaphthalen-1-ylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 59861426

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline?
The IUPAC name of 5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline (CID 167236235) is 5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline.
What is the SMILES notation for 5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline?
The canonical SMILES for 5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline is c1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2ccccc2)c2ccc(-c3cccc(-c4cccc5ccccc45)c3)cc2)cc1.
What is the InChIKey of 5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline?
The InChIKey is PGXKQAQKORRMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N/c1-3-14-39(15-4-1)49-33-30-42(48-27-13-19-38-17-8-10-25-46(38)48)35-50(49)51(43-22-5-2-6-23-43)44-31-28-36(29-32-44)40-20-11-21-41(34-40)47-26-12-18-37-16-7-9-24-45(37)47/h1-35H.
What are the key properties of 5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline?
5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline has a molecular weight of 649.84 g/mol, XLogP of 14.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline is sourced from PubChem (CID 167236235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).