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

C56H39N — CID 172502769

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

N-(4-naphthalen-2-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]naphthalen-2-amine (PubChem CID 172502769) has the molecular formula C56H39N and a molecular weight of 725.94 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]naphthalen-2-amine.

Molecular Properties

• Compound Name: N-(4-naphthalen-2-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]naphthalen-2-amine
• PubChem CID: 172502769
• Molecular Formula: C56H39N
• Molecular Weight: 725.94 g/mol
• Exact Mass: 725.31
• IUPAC Name: N-(4-naphthalen-2-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]naphthalen-2-amine
• SMILES: c1ccc(-c2ccc(-c3ccccc3-c3ccccc3-c3ccccc3N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4ccccc4c3)cc2)cc1
• InChI: InChI=1S/C56H39N/c1-2-14-40(15-3-1)43-26-29-45(30-27-43)51-20-8-9-21-52(51)53-22-10-11-23-54(53)55-24-12-13-25-56(55)57(50-37-34-42-17-5-7-19-47(42)39-50)49-35-32-44(33-36-49)48-31-28-41-16-4-6-18-46(41)38-48/h1-39H
• InChIKey: DLVZGEBBLALUBW-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-(4-naphthalen-2-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]naphthalen-2-amine?

The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]naphthalen-2-amine (CID 172502769) is N-(4-naphthalen-2-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]naphthalen-2-amine.

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

The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]naphthalen-2-amine is c1ccc(-c2ccc(-c3ccccc3-c3ccccc3-c3ccccc3N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4ccccc4c3)cc2)cc1.

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

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

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

N-(4-naphthalen-2-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]naphthalen-2-amine 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-(4-naphthalen-2-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 172502769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).