N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline

C62H43N — CID 172501953

About N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline

N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline (PubChem CID 172501953) has the molecular formula C62H43N and a molecular weight of 802.03 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline.

Molecular Properties

• Compound Name: N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
• PubChem CID: 172501953
• Molecular Formula: C62H43N
• Molecular Weight: 802.03 g/mol
• Exact Mass: 801.34
• IUPAC Name: N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
• SMILES: c1ccc(-c2ccc(-c3ccccc3-c3ccccc3-c3ccccc3N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc(-c4cccc5ccccc45)c3)cc2)cc1
• InChI: InChI=1S/C62H43N/c1-2-16-44(17-3-1)46-32-35-49(36-33-46)56-25-8-9-26-58(56)59-27-10-11-28-60(59)61-29-12-13-31-62(61)63(53-40-38-47(39-41-53)51-37-34-45-18-4-5-20-50(45)42-51)54-23-14-22-52(43-54)57-30-15-21-48-19-6-7-24-55(48)57/h1-43H
• InChIKey: WARNSONFHNZHTG-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-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline?

The IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline (CID 172501953) is N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline.

What is the SMILES notation for N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline?

The canonical SMILES for N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline is c1ccc(-c2ccc(-c3ccccc3-c3ccccc3-c3ccccc3N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc(-c4cccc5ccccc45)c3)cc2)cc1.

What is the InChIKey of N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline?

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

What are the key properties of N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline?

N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]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-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 172501953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).