5-naphthalen-1-yl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

C56H37NO — CID 155423502

About 5-naphthalen-1-yl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

5-naphthalen-1-yl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 155423502) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is 5-naphthalen-1-yl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

• Compound Name: 5-naphthalen-1-yl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
• PubChem CID: 155423502
• Molecular Formula: C56H37NO
• Molecular Weight: 739.92 g/mol
• Exact Mass: 739.29
• IUPAC Name: 5-naphthalen-1-yl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccccc4)c4cccc5oc6c7ccccc7c(-c7cccc8ccccc78)cc6c45)cc3)cc2)cc1
• InChI: InChI=1S/C56H37NO/c1-3-15-38(16-4-1)39-29-31-40(32-30-39)41-33-35-44(36-34-41)57(52-26-12-11-22-46(52)43-17-5-2-6-18-43)53-27-14-28-54-55(53)51-37-50(48-23-9-10-24-49(48)56(51)58-54)47-25-13-20-42-19-7-8-21-45(42)47/h1-37H
• InChIKey: CADUCUKYHFFKRD-UHFFFAOYSA-N
• XLogP: 16.03
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	739.92
LogP ≤ 5	16.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?

The IUPAC name of 5-naphthalen-1-yl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (CID 155423502) is 5-naphthalen-1-yl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.

What is the SMILES notation for 5-naphthalen-1-yl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?

The canonical SMILES for 5-naphthalen-1-yl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccccc4)c4cccc5oc6c7ccccc7c(-c7cccc8ccccc78)cc6c45)cc3)cc2)cc1.

What is the InChIKey of 5-naphthalen-1-yl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?

The InChIKey is CADUCUKYHFFKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-3-15-38(16-4-1)39-29-31-40(32-30-39)41-33-35-44(36-34-41)57(52-26-12-11-22-46(52)43-17-5-2-6-18-43)53-27-14-28-54-55(53)51-37-50(48-23-9-10-24-49(48)56(51)58-54)47-25-13-20-42-19-7-8-21-45(42)47/h1-37H.

What are the key properties of 5-naphthalen-1-yl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?

5-naphthalen-1-yl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 739.92 g/mol, XLogP of 16.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-naphthalen-1-yl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 155423502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).