N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline

C54H37NO — CID 170402225

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

N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline (PubChem CID 170402225) has the molecular formula C54H37NO and a molecular weight of 715.90 g/mol. Its IUPAC name is N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline.

Molecular Properties

• Compound Name: N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
• PubChem CID: 170402225
• Molecular Formula: C54H37NO
• Molecular Weight: 715.90 g/mol
• Exact Mass: 715.29
• IUPAC Name: N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cc6ccccc6o5)c4)cc3)c3ccc(-c4cccc(-c5cccc6ccccc56)c4)cc3)cc2)cc1
• InChI: InChI=1S/C54H37NO/c1-2-11-38(12-3-1)39-23-29-48(30-24-39)55(50-33-27-41(28-34-50)44-17-9-19-46(36-44)54-37-47-14-5-7-22-53(47)56-54)49-31-25-40(26-32-49)43-16-8-18-45(35-43)52-21-10-15-42-13-4-6-20-51(42)52/h1-37H
• InChIKey: LPYCVZDCTLHXIB-UHFFFAOYSA-N
• XLogP: 15.39
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.90
LogP ≤ 5	15.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline (CID 170402225) is N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline.

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

The canonical SMILES for N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cc6ccccc6o5)c4)cc3)c3ccc(-c4cccc(-c5cccc6ccccc56)c4)cc3)cc2)cc1.

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

The InChIKey is LPYCVZDCTLHXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NO/c1-2-11-38(12-3-1)39-23-29-48(30-24-39)55(50-33-27-41(28-34-50)44-17-9-19-46(36-44)54-37-47-14-5-7-22-53(47)56-54)49-31-25-40(26-32-49)43-16-8-18-45(35-43)52-21-10-15-42-13-4-6-20-51(42)52/h1-37H.

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

N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline has a molecular weight of 715.90 g/mol, XLogP of 15.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline is sourced from PubChem (CID 170402225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).