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

C67H47NO — CID 170401362

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

N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline (PubChem CID 170401362) has the molecular formula C67H47NO and a molecular weight of 882.12 g/mol. Its IUPAC name is N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
• PubChem CID: 170401362
• Molecular Formula: C67H47NO
• Molecular Weight: 882.12 g/mol
• Exact Mass: 881.37
• IUPAC Name: N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
• SMILES: Cc1c(-c2cccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)cc4)cc3)c2)oc2ccccc12
• InChI: InChI=1S/C67H47NO/c1-46-63-17-7-8-20-66(63)69-67(46)59-16-9-15-58(45-59)55-27-25-50(26-28-55)53-35-41-61(42-36-53)68(60-39-33-52(34-40-60)49-23-21-48(22-24-49)47-11-3-2-4-12-47)62-43-37-54(38-44-62)51-29-31-57(32-30-51)65-19-10-14-56-13-5-6-18-64(56)65/h2-45H,1H3
• InChIKey: CESDYNKPZGFSEZ-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 N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline?

The IUPAC name of N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline (CID 170401362) is N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline.

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

The canonical SMILES for N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline is Cc1c(-c2cccc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)c5ccc(-c6ccc(-c7cccc8ccccc78)cc6)cc5)cc4)cc3)c2)oc2ccccc12.

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

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

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

N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(4-phenylphenyl)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 N-[4-[4-[3-(3-methyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 170401362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).