N-(3-naphthalen-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline

C56H39N — CID 172502158

About N-(3-naphthalen-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline

N-(3-naphthalen-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline (PubChem CID 172502158) has the molecular formula C56H39N and a molecular weight of 725.94 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: N-(3-naphthalen-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
• PubChem CID: 172502158
• Molecular Formula: C56H39N
• Molecular Weight: 725.94 g/mol
• Exact Mass: 725.31
• IUPAC Name: N-(3-naphthalen-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
• SMILES: c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2cccc(-c3ccc4ccccc4c3)c2)c2cccc(-c3cccc4ccccc34)c2)cc1
• InChI: InChI=1S/C56H39N/c1-2-18-41(19-3-1)50-28-8-9-29-52(50)53-30-10-11-31-54(53)55-32-12-13-34-56(55)57(47-25-14-23-44(38-47)45-36-35-40-17-4-5-21-43(40)37-45)48-26-15-24-46(39-48)51-33-16-22-42-20-6-7-27-49(42)51/h1-39H
• InChIKey: WVSTVFCCXXPDDX-UHFFFAOYSA-N
• XLogP: 15.80
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	725.94
LogP ≤ 5	15.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline?

The IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline (CID 172502158) is N-(3-naphthalen-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline.

What is the SMILES notation for N-(3-naphthalen-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline?

The canonical SMILES for N-(3-naphthalen-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2cccc(-c3ccc4ccccc4c3)c2)c2cccc(-c3cccc4ccccc34)c2)cc1.

What is the InChIKey of N-(3-naphthalen-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline?

The InChIKey is WVSTVFCCXXPDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N/c1-2-18-41(19-3-1)50-28-8-9-29-52(50)53-30-10-11-31-54(53)55-32-12-13-34-56(55)57(47-25-14-23-44(38-47)45-36-35-40-17-4-5-21-43(40)37-45)48-26-15-24-46(39-48)51-33-16-22-42-20-6-7-27-49(42)51/h1-39H.

What are the key properties of N-(3-naphthalen-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline?

N-(3-naphthalen-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline has a molecular weight of 725.94 g/mol, XLogP of 15.80, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-naphthalen-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 172502158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).