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

C67H47NO — CID 170401577

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

4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline (PubChem CID 170401577) has the molecular formula C67H47NO and a molecular weight of 882.12 g/mol. Its IUPAC name is 4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline.

Molecular Properties

• Compound Name: 4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
• PubChem CID: 170401577
• Molecular Formula: C67H47NO
• Molecular Weight: 882.12 g/mol
• Exact Mass: 881.37
• IUPAC Name: 4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
• SMILES: Cc1c(-c2cccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6-c6ccccc6-c6ccccc6)cc5)c5ccc(-c6cccc7ccccc67)cc5)cc4)cc3)c2)oc2ccccc12
• InChI: InChI=1S/C67H47NO/c1-46-59-21-11-12-28-66(59)69-67(46)55-20-13-19-54(45-55)49-31-29-47(30-32-49)48-33-39-56(40-34-48)68(57-41-35-52(36-42-57)61-27-14-18-51-17-5-6-22-60(51)61)58-43-37-53(38-44-58)63-24-8-10-26-65(63)64-25-9-7-23-62(64)50-15-3-2-4-16-50/h2-45H,1H3
• InChIKey: QCLLBNWVCTZBPZ-UHFFFAOYSA-N
• XLogP: 19.03
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.12
LogP ≤ 5	19.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline (CID 170401577) is 4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline.

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

The canonical SMILES for 4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline is Cc1c(-c2cccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6-c6ccccc6-c6ccccc6)cc5)c5ccc(-c6cccc7ccccc67)cc5)cc4)cc3)c2)oc2ccccc12.

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

The InChIKey is QCLLBNWVCTZBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H47NO/c1-46-59-21-11-12-28-66(59)69-67(46)55-20-13-19-54(45-55)49-31-29-47(30-32-49)48-33-39-56(40-34-48)68(57-41-35-52(36-42-57)61-27-14-18-51-17-5-6-22-60(51)61)58-43-37-53(38-44-58)63-24-8-10-26-65(63)64-25-9-7-23-62(64)50-15-3-2-4-16-50/h2-45H,1H3.

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

4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline has a molecular weight of 882.12 g/mol, XLogP of 19.03, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 170401577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).