6-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine

C52H35NO — CID 170400574

About 6-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine

6-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 170400574) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is 6-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

• Compound Name: 6-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
• PubChem CID: 170400574
• Molecular Formula: C52H35NO
• Molecular Weight: 689.86 g/mol
• Exact Mass: 689.27
• IUPAC Name: 6-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4cc(-c5cccc(-c6cc7ccccc7o6)c5)ccc4c3)cc2)cc1
• InChI: InChI=1S/C52H35NO/c1-2-9-36(10-3-1)38-21-26-48(27-22-38)53(49-28-23-39(24-29-49)42-18-17-37-11-4-5-12-40(37)31-42)50-30-25-44-32-43(19-20-45(44)34-50)41-14-8-15-46(33-41)52-35-47-13-6-7-16-51(47)54-52/h1-35H
• InChIKey: YJGZZGCYNLMDJH-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 6-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine?

The IUPAC name of 6-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine (CID 170400574) is 6-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine.

What is the SMILES notation for 6-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine?

The canonical SMILES for 6-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4cc(-c5cccc(-c6cc7ccccc7o6)c5)ccc4c3)cc2)cc1.

What is the InChIKey of 6-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine?

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

What are the key properties of 6-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine?

6-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-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 6-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 170400574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).