N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine

C54H37NO — CID 170526137

About N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine

N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine (PubChem CID 170526137) has the molecular formula C54H37NO and a molecular weight of 715.90 g/mol. Its IUPAC name is N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine.

Molecular Properties

• Compound Name: N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
• PubChem CID: 170526137
• Molecular Formula: C54H37NO
• Molecular Weight: 715.90 g/mol
• Exact Mass: 715.29
• IUPAC Name: N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
• SMILES: c1ccc(-c2ccccc2-c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4-c4cc5ccccc5o4)cc3)c3ccc4ccccc4c3)cc2)cc1
• InChI: InChI=1S/C54H37NO/c1-2-15-39(16-3-1)47-19-7-10-22-50(47)51-23-11-8-20-48(51)40-27-31-44(32-28-40)55(46-35-26-38-14-4-5-17-42(38)36-46)45-33-29-41(30-34-45)49-21-9-12-24-52(49)54-37-43-18-6-13-25-53(43)56-54/h1-37H
• InChIKey: NSRDIBWSXXZKNO-UHFFFAOYSA-N
• XLogP: 15.39
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.90
LogP ≤ 5	15.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine?

The IUPAC name of N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine (CID 170526137) is N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine.

What is the SMILES notation for N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine?

The canonical SMILES for N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4-c4cc5ccccc5o4)cc3)c3ccc4ccccc4c3)cc2)cc1.

What is the InChIKey of N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine?

The InChIKey is NSRDIBWSXXZKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NO/c1-2-15-39(16-3-1)47-19-7-10-22-50(47)51-23-11-8-20-48(51)40-27-31-44(32-28-40)55(46-35-26-38-14-4-5-17-42(38)36-46)45-33-29-41(30-34-45)49-21-9-12-24-52(49)54-37-43-18-6-13-25-53(43)56-54/h1-37H.

What are the key properties of N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine?

N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine has a molecular weight of 715.90 g/mol, XLogP of 15.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 170526137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).