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

C66H45NO — CID 170399764

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

4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline (PubChem CID 170399764) has the molecular formula C66H45NO and a molecular weight of 868.09 g/mol. Its IUPAC name is 4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline.

Molecular Properties

• Compound Name: 4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
• PubChem CID: 170399764
• Molecular Formula: C66H45NO
• Molecular Weight: 868.09 g/mol
• Exact Mass: 867.35
• IUPAC Name: 4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
• SMILES: c1ccc(-c2ccccc2-c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5-c5cc6ccccc6o5)cc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1
• InChI: InChI=1S/C66H45NO/c1-2-15-50(16-3-1)59-19-7-10-22-62(59)63-23-11-8-20-60(63)52-36-42-58(43-37-52)67(57-40-34-49(35-41-57)54-31-28-46-14-4-5-17-53(46)44-54)56-38-32-48(33-39-56)47-26-29-51(30-27-47)61-21-9-12-24-64(61)66-45-55-18-6-13-25-65(55)68-66/h1-45H
• InChIKey: SMOSYLGBKYEWFT-UHFFFAOYSA-N
• XLogP: 18.72
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	868.09
LogP ≤ 5	18.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline (CID 170399764) is 4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline.

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

The canonical SMILES for 4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline is c1ccc(-c2ccccc2-c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5-c5cc6ccccc6o5)cc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1.

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

The InChIKey is SMOSYLGBKYEWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45NO/c1-2-15-50(16-3-1)59-19-7-10-22-62(59)63-23-11-8-20-60(63)52-36-42-58(43-37-52)67(57-40-34-49(35-41-57)54-31-28-46-14-4-5-17-53(46)44-54)56-38-32-48(33-39-56)47-26-29-51(30-27-47)61-21-9-12-24-64(61)66-45-55-18-6-13-25-65(55)68-66/h1-45H.

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

4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline has a molecular weight of 868.09 g/mol, XLogP of 18.72, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 170399764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).