N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline

C62H43N — CID 172501217

About N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline

N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline (PubChem CID 172501217) has the molecular formula C62H43N and a molecular weight of 802.03 g/mol. Its IUPAC name is N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
• PubChem CID: 172501217
• Molecular Formula: C62H43N
• Molecular Weight: 802.03 g/mol
• Exact Mass: 801.34
• IUPAC Name: N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
• SMILES: c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc2)c2cccc(-c3ccc4ccccc4c3)c2)cc1
• InChI: InChI=1S/C62H43N/c1-2-17-49(18-3-1)57-23-8-9-24-58(57)59-25-10-11-26-60(59)61-27-12-13-28-62(61)63(56-22-14-21-52(43-56)54-36-34-45-16-5-7-20-51(45)42-54)55-39-37-47(38-40-55)46-29-31-48(32-30-46)53-35-33-44-15-4-6-19-50(44)41-53/h1-43H
• InChIKey: GLSLWHZEPGTMDF-UHFFFAOYSA-N
• XLogP: 17.46
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	802.03
LogP ≤ 5	17.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline?

The IUPAC name of N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline (CID 172501217) is N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline.

What is the SMILES notation for N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline?

The canonical SMILES for N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc2)c2cccc(-c3ccc4ccccc4c3)c2)cc1.

What is the InChIKey of N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline?

The InChIKey is GLSLWHZEPGTMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N/c1-2-17-49(18-3-1)57-23-8-9-24-58(57)59-25-10-11-26-60(59)61-27-12-13-28-62(61)63(56-22-14-21-52(43-56)54-36-34-45-16-5-7-20-51(45)42-54)55-39-37-47(38-40-55)46-29-31-48(32-30-46)53-35-33-44-15-4-6-19-50(44)41-53/h1-43H.

What are the key properties of N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline?

N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline has a molecular weight of 802.03 g/mol, XLogP of 17.46, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 172501217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).