4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-1-amine

C52H35NO — CID 170400850

About 4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-1-amine

4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-1-amine (PubChem CID 170400850) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is 4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-1-amine.

Molecular Properties

• Compound Name: 4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-1-amine
• PubChem CID: 170400850
• Molecular Formula: C52H35NO
• Molecular Weight: 689.86 g/mol
• Exact Mass: 689.27
• IUPAC Name: 4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-1-amine
• SMILES: c1ccc(-c2cccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cccc(-c5cc6ccccc6o5)c4)c4ccccc34)c2)cc1
• InChI: InChI=1S/C52H35NO/c1-2-13-36(14-3-1)39-18-11-21-44(34-39)53(43-29-27-38(28-30-43)46-25-12-17-37-15-4-6-22-45(37)46)50-32-31-47(48-23-7-8-24-49(48)50)40-19-10-20-41(33-40)52-35-42-16-5-9-26-51(42)54-52/h1-35H
• InChIKey: HMSOQOHUGRITQQ-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 4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-1-amine?

The IUPAC name of 4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-1-amine (CID 170400850) is 4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-1-amine.

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

The canonical SMILES for 4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-1-amine is c1ccc(-c2cccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cccc(-c5cc6ccccc6o5)c4)c4ccccc34)c2)cc1.

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

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

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

4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)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 4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 170400850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).