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

C66H44N2O — CID 139544656

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

N-[3-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-(4-phenylphenyl)aniline (PubChem CID 139544656) has the molecular formula C66H44N2O and a molecular weight of 881.09 g/mol. Its IUPAC name is N-[3-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-[3-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-(4-phenylphenyl)aniline
• PubChem CID: 139544656
• Molecular Formula: C66H44N2O
• Molecular Weight: 881.09 g/mol
• Exact Mass: 880.35
• IUPAC Name: N-[3-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-(4-phenylphenyl)aniline
• SMILES: c1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cccc(-c5cccc(-c6ccccc6-n6c7ccccc7c7ccccc76)c5)c4)c3)cc2)cc1
• InChI: InChI=1S/C66H44N2O/c1-2-16-45(17-3-1)46-34-36-47(37-35-46)50-19-13-22-54(43-50)67(53-40-38-48(39-41-53)57-28-15-29-61-60-27-7-11-33-65(60)69-66(57)61)55-23-14-20-51(44-55)49-18-12-21-52(42-49)56-24-4-8-30-62(56)68-63-31-9-5-25-58(63)59-26-6-10-32-64(59)68/h1-44H
• InChIKey: GJNAVMNUVVSMDA-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-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-(4-phenylphenyl)aniline?

The IUPAC name of N-[3-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-(4-phenylphenyl)aniline (CID 139544656) is N-[3-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-(4-phenylphenyl)aniline.

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

The canonical SMILES for N-[3-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cccc(-c5cccc(-c6ccccc6-n6c7ccccc7c7ccccc76)c5)c4)c3)cc2)cc1.

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

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

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

N-[3-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-(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-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-(4-phenylphenyl)aniline is sourced from PubChem (CID 139544656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).