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

C55H39NO — CID 170526240

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

3-(3-methyl-1-benzofuran-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline (PubChem CID 170526240) has the molecular formula C55H39NO and a molecular weight of 729.92 g/mol. Its IUPAC name is 3-(3-methyl-1-benzofuran-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline.

Molecular Properties

• Compound Name: 3-(3-methyl-1-benzofuran-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
• PubChem CID: 170526240
• Molecular Formula: C55H39NO
• Molecular Weight: 729.92 g/mol
• Exact Mass: 729.30
• IUPAC Name: 3-(3-methyl-1-benzofuran-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
• SMILES: Cc1c(-c2cccc(N(c3ccc(-c4ccccc4-c4ccccc4-c4ccccc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)c2)oc2ccccc12
• InChI: InChI=1S/C55H39NO/c1-38-47-21-11-12-28-54(47)57-55(38)43-19-13-20-46(37-43)56(44-33-29-41(30-34-44)49-27-14-18-40-17-5-6-22-48(40)49)45-35-31-42(32-36-45)51-24-8-10-26-53(51)52-25-9-7-23-50(52)39-15-3-2-4-16-39/h2-37H,1H3
• InChIKey: INCDTUBYJDJZAN-UHFFFAOYSA-N
• XLogP: 15.70
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	729.92
LogP ≤ 5	15.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1-benzofuran-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline?

The IUPAC name of 3-(3-methyl-1-benzofuran-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline (CID 170526240) is 3-(3-methyl-1-benzofuran-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline.

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

The canonical SMILES for 3-(3-methyl-1-benzofuran-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline is Cc1c(-c2cccc(N(c3ccc(-c4ccccc4-c4ccccc4-c4ccccc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)c2)oc2ccccc12.

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

The InChIKey is INCDTUBYJDJZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39NO/c1-38-47-21-11-12-28-54(47)57-55(38)43-19-13-20-46(37-43)56(44-33-29-41(30-34-44)49-27-14-18-40-17-5-6-22-48(40)49)45-35-31-42(32-36-45)51-24-8-10-26-53(51)52-25-9-7-23-50(52)39-15-3-2-4-16-39/h2-37H,1H3.

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

3-(3-methyl-1-benzofuran-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline has a molecular weight of 729.92 g/mol, XLogP of 15.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-methyl-1-benzofuran-2-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 170526240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).