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

C66H44N2O — CID 139544966

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

3-(2-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 139544966) has the molecular formula C66H44N2O and a molecular weight of 881.09 g/mol. Its IUPAC name is 3-(2-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: 3-(2-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
• PubChem CID: 139544966
• Molecular Formula: C66H44N2O
• Molecular Weight: 881.09 g/mol
• Exact Mass: 880.35
• IUPAC Name: 3-(2-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
• SMILES: c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)c4cccc(-c5ccccc5-n5c6ccccc6c6ccccc65)c4)cc3)c2)cc1
• InChI: InChI=1S/C66H44N2O/c1-2-15-45(16-3-1)50-17-12-18-51(43-50)48-37-41-54(42-38-48)67(53-39-35-47(36-40-53)46-31-33-49(34-32-46)57-25-14-26-61-60-24-7-11-30-65(60)69-66(57)61)55-20-13-19-52(44-55)56-21-4-8-27-62(56)68-63-28-9-5-22-58(63)59-23-6-10-29-64(59)68/h1-44H
• InChIKey: LSEWBPIKXJUCRU-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 3-(2-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?

The IUPAC name of 3-(2-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline (CID 139544966) is 3-(2-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline.

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

The canonical SMILES for 3-(2-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline is c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)c4cccc(-c5ccccc5-n5c6ccccc6c6ccccc65)c4)cc3)c2)cc1.

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

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

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

3-(2-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]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 3-(2-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 139544966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).