4-dibenzofuran-1-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenylnaphthalen-1-amine

C54H35NO — CID 174257337

About 4-dibenzofuran-1-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenylnaphthalen-1-amine

4-dibenzofuran-1-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenylnaphthalen-1-amine (PubChem CID 174257337) has the molecular formula C54H35NO and a molecular weight of 713.88 g/mol. Its IUPAC name is 4-dibenzofuran-1-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenylnaphthalen-1-amine.

Molecular Properties

• Compound Name: 4-dibenzofuran-1-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenylnaphthalen-1-amine
• PubChem CID: 174257337
• Molecular Formula: C54H35NO
• Molecular Weight: 713.88 g/mol
• Exact Mass: 713.27
• IUPAC Name: 4-dibenzofuran-1-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenylnaphthalen-1-amine
• SMILES: c1ccc(N(c2ccc3cc(-c4ccc(-c5ccc6ccccc6c5)cc4)ccc3c2)c2ccc(-c3cccc4oc5ccccc5c34)c3ccccc23)cc1
• InChI: InChI=1S/C54H35NO/c1-2-13-44(14-3-1)55(51-32-31-47(46-15-6-7-16-48(46)51)49-18-10-20-53-54(49)50-17-8-9-19-52(50)56-53)45-30-29-42-34-41(27-28-43(42)35-45)38-23-21-37(22-24-38)40-26-25-36-11-4-5-12-39(36)33-40/h1-35H
• InChIKey: PPFPSSVPCVCJOG-UHFFFAOYSA-N
• XLogP: 15.52
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	713.88
LogP ≤ 5	15.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-1-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenylnaphthalen-1-amine?

The IUPAC name of 4-dibenzofuran-1-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenylnaphthalen-1-amine (CID 174257337) is 4-dibenzofuran-1-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenylnaphthalen-1-amine.

What is the SMILES notation for 4-dibenzofuran-1-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenylnaphthalen-1-amine?

The canonical SMILES for 4-dibenzofuran-1-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenylnaphthalen-1-amine is c1ccc(N(c2ccc3cc(-c4ccc(-c5ccc6ccccc6c5)cc4)ccc3c2)c2ccc(-c3cccc4oc5ccccc5c34)c3ccccc23)cc1.

What is the InChIKey of 4-dibenzofuran-1-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenylnaphthalen-1-amine?

The InChIKey is PPFPSSVPCVCJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO/c1-2-13-44(14-3-1)55(51-32-31-47(46-15-6-7-16-48(46)51)49-18-10-20-53-54(49)50-17-8-9-19-52(50)56-53)45-30-29-42-34-41(27-28-43(42)35-45)38-23-21-37(22-24-38)40-26-25-36-11-4-5-12-39(36)33-40/h1-35H.

What are the key properties of 4-dibenzofuran-1-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenylnaphthalen-1-amine?

4-dibenzofuran-1-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenylnaphthalen-1-amine has a molecular weight of 713.88 g/mol, XLogP of 15.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-dibenzofuran-1-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 174257337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).