2-dibenzofuran-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline

C62H41NO — CID 167325244

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

2-dibenzofuran-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline (PubChem CID 167325244) has the molecular formula C62H41NO and a molecular weight of 816.02 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: 2-dibenzofuran-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
• PubChem CID: 167325244
• Molecular Formula: C62H41NO
• Molecular Weight: 816.02 g/mol
• Exact Mass: 815.32
• IUPAC Name: 2-dibenzofuran-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
• SMILES: c1cc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)c3ccccc3-c3ccc4oc5ccccc5c4c3)cc2)cc(-c2ccc3ccccc3c2)c1
• InChI: InChI=1S/C62H41NO/c1-2-13-48-40-51(28-25-42(48)11-1)50-16-9-15-49(39-50)45-31-36-54(37-32-45)63(60-21-7-5-18-57(60)52-33-38-62-59(41-52)58-19-6-8-22-61(58)64-62)53-34-29-44(30-35-53)43-23-26-47(27-24-43)56-20-10-14-46-12-3-4-17-55(46)56/h1-41H
• InChIKey: IADCUDOKIZGECP-UHFFFAOYSA-N
• XLogP: 17.70
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	816.02
LogP ≤ 5	17.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 2-dibenzofuran-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline (CID 167325244) is 2-dibenzofuran-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline.

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

The canonical SMILES for 2-dibenzofuran-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline is c1cc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6ccccc56)cc4)cc3)c3ccccc3-c3ccc4oc5ccccc5c4c3)cc2)cc(-c2ccc3ccccc3c2)c1.

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

The InChIKey is IADCUDOKIZGECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41NO/c1-2-13-48-40-51(28-25-42(48)11-1)50-16-9-15-49(39-50)45-31-36-54(37-32-45)63(60-21-7-5-18-57(60)52-33-38-62-59(41-52)58-19-6-8-22-61(58)64-62)53-34-29-44(30-35-53)43-23-26-47(27-24-43)56-20-10-14-46-12-3-4-17-55(46)56/h1-41H.

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

2-dibenzofuran-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline has a molecular weight of 816.02 g/mol, XLogP of 17.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline is sourced from PubChem (CID 167325244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).