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

C64H42N2O — CID 155397994

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

4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline (PubChem CID 155397994) has the molecular formula C64H42N2O and a molecular weight of 855.05 g/mol. Its IUPAC name is 4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline.

Molecular Properties

• Compound Name: 4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
• PubChem CID: 155397994
• Molecular Formula: C64H42N2O
• Molecular Weight: 855.05 g/mol
• Exact Mass: 854.33
• IUPAC Name: 4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
• SMILES: c1ccc2cc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)cc3)ccc2c1
• InChI: InChI=1S/C64H42N2O/c1-2-11-50-42-51(25-24-43(50)10-1)48-30-36-53(37-31-48)65(54-40-32-49(33-41-54)56-15-9-19-63-64(56)59-14-5-8-18-62(59)67-63)52-34-26-46(27-35-52)44-20-22-45(23-21-44)47-28-38-55(39-29-47)66-60-16-6-3-12-57(60)58-13-4-7-17-61(58)66/h1-42H
• InChIKey: DLBXWJVYLDKBPY-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 4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline?

The IUPAC name of 4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline (CID 155397994) is 4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline.

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

The canonical SMILES for 4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline is c1ccc2cc(-c3ccc(N(c4ccc(-c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)cc3)ccc2c1.

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

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

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

4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-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 4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 155397994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).