N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-2-phenylaniline

C60H40N2O — CID 139544518

About N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-2-phenylaniline

N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-2-phenylaniline (PubChem CID 139544518) has the molecular formula C60H40N2O and a molecular weight of 804.99 g/mol. Its IUPAC name is N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-2-phenylaniline.

Molecular Properties

• Compound Name: N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-2-phenylaniline
• PubChem CID: 139544518
• Molecular Formula: C60H40N2O
• Molecular Weight: 804.99 g/mol
• Exact Mass: 804.31
• IUPAC Name: N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-2-phenylaniline
• SMILES: c1ccc(-c2ccccc2N(c2ccc(-c3ccccc3-c3cccc4c3oc3ccccc34)cc2)c2ccccc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc1
• InChI: InChI=1S/C60H40N2O/c1-2-19-41(20-3-1)45-22-6-12-31-54(45)61(43-39-37-42(38-40-43)44-21-4-5-23-46(44)52-29-18-30-53-51-28-11-17-36-59(51)63-60(52)53)55-32-13-7-24-47(55)48-25-8-14-33-56(48)62-57-34-15-9-26-49(57)50-27-10-16-35-58(50)62/h1-40H
• InChIKey: XTAZZPUOZIZQPL-UHFFFAOYSA-N
• XLogP: 16.82
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	804.99
LogP ≤ 5	16.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-2-phenylaniline (CID 139544518) is N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-2-phenylaniline.

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

The canonical SMILES for N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-2-phenylaniline is c1ccc(-c2ccccc2N(c2ccc(-c3ccccc3-c3cccc4c3oc3ccccc34)cc2)c2ccccc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc1.

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

The InChIKey is XTAZZPUOZIZQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O/c1-2-19-41(20-3-1)45-22-6-12-31-54(45)61(43-39-37-42(38-40-43)44-21-4-5-23-46(44)52-29-18-30-53-51-28-11-17-36-59(51)63-60(52)53)55-32-13-7-24-47(55)48-25-8-14-33-56(48)62-57-34-15-9-26-49(57)50-27-10-16-35-58(50)62/h1-40H.

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

N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-2-phenylaniline has a molecular weight of 804.99 g/mol, XLogP of 16.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-2-phenylaniline is sourced from PubChem (CID 139544518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).