N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]aniline

C66H53NO2 — CID 170300046

About N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]aniline

N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]aniline (PubChem CID 170300046) has the molecular formula C66H53NO2 and a molecular weight of 892.16 g/mol. Its IUPAC name is N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]aniline.

Molecular Properties

• Compound Name: N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]aniline
• PubChem CID: 170300046
• Molecular Formula: C66H53NO2
• Molecular Weight: 892.16 g/mol
• Exact Mass: 891.41
• IUPAC Name: N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]aniline
• SMILES: CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4cccc(-c5ccc6c(c5)oc5ccccc56)c4)c4ccccc4-c4cccc5c4oc4ccccc45)c23)cc(C(C)(C)C)c1
• InChI: InChI=1S/C66H53NO2/c1-65(2,3)46-37-45(38-47(41-46)66(4,5)6)49-27-16-19-42-20-17-28-55(63(42)49)50-23-7-11-31-58(50)67(48-22-15-21-43(39-48)44-35-36-54-52-25-9-13-33-60(52)68-62(54)40-44)59-32-12-8-24-51(59)56-29-18-30-57-53-26-10-14-34-61(53)69-64(56)57/h7-41H,1-6H3
• InChIKey: DBFKVUYMTMRHNH-UHFFFAOYSA-N
• XLogP: 19.37
• TPSA: 29.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	892.16
LogP ≤ 5	19.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]aniline?

The IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]aniline (CID 170300046) is N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]aniline.

What is the SMILES notation for N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]aniline?

The canonical SMILES for N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]aniline is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4cccc(-c5ccc6c(c5)oc5ccccc56)c4)c4ccccc4-c4cccc5c4oc4ccccc45)c23)cc(C(C)(C)C)c1.

What is the InChIKey of N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]aniline?

The InChIKey is DBFKVUYMTMRHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H53NO2/c1-65(2,3)46-37-45(38-47(41-46)66(4,5)6)49-27-16-19-42-20-17-28-55(63(42)49)50-23-7-11-31-58(50)67(48-22-15-21-43(39-48)44-35-36-54-52-25-9-13-33-60(52)68-62(54)40-44)59-32-12-8-24-51(59)56-29-18-30-57-53-26-10-14-34-61(53)69-64(56)57/h7-41H,1-6H3.

What are the key properties of N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]aniline?

N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]aniline has a molecular weight of 892.16 g/mol, XLogP of 19.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]aniline is sourced from PubChem (CID 170300046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).