N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)aniline

C64H42N2O — CID 167325530

About N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)aniline

N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)aniline (PubChem CID 167325530) has the molecular formula C64H42N2O and a molecular weight of 855.05 g/mol. Its IUPAC name is N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
• PubChem CID: 167325530
• Molecular Formula: C64H42N2O
• Molecular Weight: 855.05 g/mol
• Exact Mass: 854.33
• IUPAC Name: N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
• SMILES: c1ccc(N(c2ccc(-c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc(-c3cccc4ccccc34)cc2)c(-c2ccc3oc4ccccc4c3c2)c1
• InChI: InChI=1S/C64H42N2O/c1-2-16-51-45(14-1)15-13-22-52(51)46-34-39-50(40-35-46)65(59-23-8-4-18-54(59)48-36-41-64-58(42-48)57-21-7-12-27-63(57)67-64)49-37-32-44(33-38-49)43-28-30-47(31-29-43)53-17-3-9-24-60(53)66-61-25-10-5-19-55(61)56-20-6-11-26-62(56)66/h1-42H
• InChIKey: KGZQTAVCEWMIJE-UHFFFAOYSA-N
• XLogP: 17.97
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	855.05
LogP ≤ 5	17.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)aniline?

The IUPAC name of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)aniline (CID 167325530) is N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)aniline.

What is the SMILES notation for N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)aniline?

The canonical SMILES for N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)aniline is c1ccc(N(c2ccc(-c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc(-c3cccc4ccccc34)cc2)c(-c2ccc3oc4ccccc4c3c2)c1.

What is the InChIKey of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)aniline?

The InChIKey is KGZQTAVCEWMIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O/c1-2-16-51-45(14-1)15-13-22-52(51)46-34-39-50(40-35-46)65(59-23-8-4-18-54(59)48-36-41-64-58(42-48)57-21-7-12-27-63(57)67-64)49-37-32-44(33-38-49)43-28-30-47(31-29-43)53-17-3-9-24-60(53)66-61-25-10-5-19-55(61)56-20-6-11-26-62(56)66/h1-42H.

What are the key properties of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)aniline?

N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)aniline has a molecular weight of 855.05 g/mol, XLogP of 17.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 167325530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).