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

C52H35NO — CID 170400708

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

4-[3-(1-benzofuran-2-yl)phenyl]-N-naphthalen-2-yl-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine (PubChem CID 170400708) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is 4-[3-(1-benzofuran-2-yl)phenyl]-N-naphthalen-2-yl-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: 4-[3-(1-benzofuran-2-yl)phenyl]-N-naphthalen-2-yl-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
• PubChem CID: 170400708
• Molecular Formula: C52H35NO
• Molecular Weight: 689.86 g/mol
• Exact Mass: 689.27
• IUPAC Name: 4-[3-(1-benzofuran-2-yl)phenyl]-N-naphthalen-2-yl-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
• SMILES: c1ccc(-c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccc(-c4cccc(-c5cc6ccccc6o5)c4)c4ccccc34)cc2)cc1
• InChI: InChI=1S/C52H35NO/c1-2-14-37(15-3-1)45-20-7-8-21-46(45)38-26-28-43(29-27-38)53(44-30-25-36-13-4-5-16-39(36)34-44)50-32-31-47(48-22-9-10-23-49(48)50)40-18-12-19-41(33-40)52-35-42-17-6-11-24-51(42)54-52/h1-35H
• InChIKey: RDWFSCYWWGGVNA-UHFFFAOYSA-N
• XLogP: 14.88
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	689.86
LogP ≤ 5	14.88
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-naphthalen-2-yl-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine?

The IUPAC name of 4-[3-(1-benzofuran-2-yl)phenyl]-N-naphthalen-2-yl-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine (CID 170400708) is 4-[3-(1-benzofuran-2-yl)phenyl]-N-naphthalen-2-yl-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine.

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

The canonical SMILES for 4-[3-(1-benzofuran-2-yl)phenyl]-N-naphthalen-2-yl-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine is c1ccc(-c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccc(-c4cccc(-c5cc6ccccc6o5)c4)c4ccccc34)cc2)cc1.

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

The InChIKey is RDWFSCYWWGGVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-2-14-37(15-3-1)45-20-7-8-21-46(45)38-26-28-43(29-27-38)53(44-30-25-36-13-4-5-16-39(36)34-44)50-32-31-47(48-22-9-10-23-49(48)50)40-18-12-19-41(33-40)52-35-42-17-6-11-24-51(42)54-52/h1-35H.

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

4-[3-(1-benzofuran-2-yl)phenyl]-N-naphthalen-2-yl-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine has a molecular weight of 689.86 g/mol, XLogP of 14.88, 7 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-naphthalen-2-yl-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 170400708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).