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

C58H37NO2 — CID 167325155

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

2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline (PubChem CID 167325155) has the molecular formula C58H37NO2 and a molecular weight of 779.94 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
• PubChem CID: 167325155
• Molecular Formula: C58H37NO2
• Molecular Weight: 779.94 g/mol
• Exact Mass: 779.28
• IUPAC Name: 2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
• SMILES: c1ccc(-c2ccc3ccccc3c2)c(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccccc3-c3cccc4oc5ccccc5c34)cc2)c1
• InChI: InChI=1S/C58H37NO2/c1-2-14-41-37-42(28-27-38(41)13-1)46-16-4-3-15-45(46)39-29-33-43(34-30-39)59(44-35-31-40(32-36-44)47-20-11-22-51-49-18-6-9-24-54(49)61-58(47)51)53-23-8-5-17-48(53)50-21-12-26-56-57(50)52-19-7-10-25-55(52)60-56/h1-37H
• InChIKey: VPUUNOAKURIREK-UHFFFAOYSA-N
• XLogP: 16.78
• TPSA: 29.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.94
LogP ≤ 5	16.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline (CID 167325155) is 2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline.

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

The canonical SMILES for 2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline is c1ccc(-c2ccc3ccccc3c2)c(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccccc3-c3cccc4oc5ccccc5c34)cc2)c1.

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

The InChIKey is VPUUNOAKURIREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO2/c1-2-14-41-37-42(28-27-38(41)13-1)46-16-4-3-15-45(46)39-29-33-43(34-30-39)59(44-35-31-40(32-36-44)47-20-11-22-51-49-18-6-9-24-54(49)61-58(47)51)53-23-8-5-17-48(53)50-21-12-26-56-57(50)52-19-7-10-25-55(52)60-56/h1-37H.

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

2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline has a molecular weight of 779.94 g/mol, XLogP of 16.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline is sourced from PubChem (CID 167325155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).