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

C52H35NO — CID 170398475

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

N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine (PubChem CID 170398475) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
• PubChem CID: 170398475
• Molecular Formula: C52H35NO
• Molecular Weight: 689.86 g/mol
• Exact Mass: 689.27
• IUPAC Name: N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
• SMILES: c1ccc(-c2cc3ccccc3o2)c(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)c3cccc4ccccc34)cc2)c1
• InChI: InChI=1S/C52H35NO/c1-4-16-45-38(11-1)14-9-20-46(45)40-25-23-36(24-26-40)37-27-31-43(32-28-37)53(50-21-10-15-39-12-2-5-18-48(39)50)44-33-29-41(30-34-44)47-17-6-7-19-49(47)52-35-42-13-3-8-22-51(42)54-52/h1-35H
• InChIKey: NQEVAUDVWVPTGT-UHFFFAOYSA-N
• XLogP: 14.88
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	689.86
LogP ≤ 5	14.88
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-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine?

The IUPAC name of N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine (CID 170398475) is N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine.

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

The canonical SMILES for N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine is c1ccc(-c2cc3ccccc3o2)c(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)c3cccc4ccccc34)cc2)c1.

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

The InChIKey is NQEVAUDVWVPTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-4-16-45-38(11-1)14-9-20-46(45)40-25-23-36(24-26-40)37-27-31-43(32-28-37)53(50-21-10-15-39-12-2-5-18-48(39)50)44-33-29-41(30-34-44)47-17-6-7-19-49(47)52-35-42-13-3-8-22-51(42)54-52/h1-35H.

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

N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine has a molecular weight of 689.86 g/mol, XLogP of 14.88, 7 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-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 170398475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).