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

C62H43NO — CID 170398268

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

4-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline (PubChem CID 170398268) has the molecular formula C62H43NO and a molecular weight of 818.03 g/mol. Its IUPAC name is 4-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline.

Molecular Properties

• Compound Name: 4-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
• PubChem CID: 170398268
• Molecular Formula: C62H43NO
• Molecular Weight: 818.03 g/mol
• Exact Mass: 817.33
• IUPAC Name: 4-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
• SMILES: c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6cc7ccccc7o6)c5)cc4)c4ccc(-c5ccccc5-c5ccccc5-c5ccccc5)cc4)cc3)c2)cc1
• InChI: InChI=1S/C62H43NO/c1-3-15-44(16-4-1)49-20-13-21-50(41-49)45-29-35-54(36-30-45)63(55-37-31-46(32-38-55)51-22-14-23-52(42-51)62-43-53-19-7-12-28-61(53)64-62)56-39-33-48(34-40-56)58-25-9-11-27-60(58)59-26-10-8-24-57(59)47-17-5-2-6-18-47/h1-43H
• InChIKey: MOVNRWCQSMXMRG-UHFFFAOYSA-N
• XLogP: 17.57
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	818.03
LogP ≤ 5	17.57
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-(3-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline?

The IUPAC name of 4-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline (CID 170398268) is 4-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline.

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

The canonical SMILES for 4-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline is c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6cc7ccccc7o6)c5)cc4)c4ccc(-c5ccccc5-c5ccccc5-c5ccccc5)cc4)cc3)c2)cc1.

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

The InChIKey is MOVNRWCQSMXMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43NO/c1-3-15-44(16-4-1)49-20-13-21-50(41-49)45-29-35-54(36-30-45)63(55-37-31-46(32-38-55)51-22-14-23-52(42-51)62-43-53-19-7-12-28-61(53)64-62)56-39-33-48(34-40-56)58-25-9-11-27-60(58)59-26-10-8-24-57(59)47-17-5-2-6-18-47/h1-43H.

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

4-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline has a molecular weight of 818.03 g/mol, XLogP of 17.57, 10 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-(3-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 170398268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).