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

C54H37NO — CID 170398836

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

2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 170398836) has the molecular formula C54H37NO and a molecular weight of 715.90 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: 2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
• PubChem CID: 170398836
• Molecular Formula: C54H37NO
• Molecular Weight: 715.90 g/mol
• Exact Mass: 715.29
• IUPAC Name: 2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4ccccc4-c4cc5ccccc5o4)cc3)cc2)cc1
• InChI: InChI=1S/C54H37NO/c1-2-11-38(12-3-1)39-21-23-40(24-22-39)42-29-33-47(34-30-42)55(52-19-8-7-17-51(52)54-37-46-14-5-9-20-53(46)56-54)48-35-31-43(32-36-48)41-25-27-45(28-26-41)50-18-10-15-44-13-4-6-16-49(44)50/h1-37H
• InChIKey: YPEHPPTYAPJEPB-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 2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?

The IUPAC name of 2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (CID 170398836) is 2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.

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

The canonical SMILES for 2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4ccccc4-c4cc5ccccc5o4)cc3)cc2)cc1.

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

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

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

2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline 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 2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 170398836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).