N-[3-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline

C66H44N2O — CID 139544729

About N-[3-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline

N-[3-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline (PubChem CID 139544729) has the molecular formula C66H44N2O and a molecular weight of 881.09 g/mol. Its IUPAC name is N-[3-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-[3-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline
• PubChem CID: 139544729
• Molecular Formula: C66H44N2O
• Molecular Weight: 881.09 g/mol
• Exact Mass: 880.35
• IUPAC Name: N-[3-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline
• SMILES: c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc(-c4ccccc4-c4ccccc4-n4c5ccccc5c5ccccc54)c3)cc2)cc1
• InChI: InChI=1S/C66H44N2O/c1-2-18-45(19-3-1)46-36-38-47(39-37-46)53-23-6-11-31-61(53)67(50-42-40-48(41-43-50)54-29-17-30-60-59-28-10-15-35-65(59)69-66(54)60)51-21-16-20-49(44-51)52-22-4-5-24-55(52)56-25-7-12-32-62(56)68-63-33-13-8-26-57(63)58-27-9-14-34-64(58)68/h1-44H
• InChIKey: OGIZMJWOLOCAJT-UHFFFAOYSA-N
• XLogP: 18.49
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	881.09
LogP ≤ 5	18.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline?

The IUPAC name of N-[3-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline (CID 139544729) is N-[3-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline.

What is the SMILES notation for N-[3-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline?

The canonical SMILES for N-[3-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc(-c4ccccc4-c4ccccc4-n4c5ccccc5c5ccccc54)c3)cc2)cc1.

What is the InChIKey of N-[3-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline?

The InChIKey is OGIZMJWOLOCAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2O/c1-2-18-45(19-3-1)46-36-38-47(39-37-46)53-23-6-11-31-61(53)67(50-42-40-48(41-43-50)54-29-17-30-60-59-28-10-15-35-65(59)69-66(54)60)51-21-16-20-49(44-51)52-22-4-5-24-55(52)56-25-7-12-32-62(56)68-63-33-13-8-26-57(63)58-27-9-14-34-64(58)68/h1-44H.

What are the key properties of N-[3-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline?

N-[3-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline has a molecular weight of 881.09 g/mol, XLogP of 18.49, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline is sourced from PubChem (CID 139544729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).