N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-(3-phenylphenyl)aniline

C66H44N2O — CID 155398231

About N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-(3-phenylphenyl)aniline

N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-(3-phenylphenyl)aniline (PubChem CID 155398231) has the molecular formula C66H44N2O and a molecular weight of 881.09 g/mol. Its IUPAC name is N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-(3-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-(3-phenylphenyl)aniline
• PubChem CID: 155398231
• Molecular Formula: C66H44N2O
• Molecular Weight: 881.09 g/mol
• Exact Mass: 880.35
• IUPAC Name: N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-(3-phenylphenyl)aniline
• SMILES: c1ccc(-c2cccc(-c3cccc(N(c4ccc(-c5ccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cc5)cc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)c3)c2)cc1
• InChI: InChI=1S/C66H44N2O/c1-2-14-45(15-3-1)50-16-10-17-51(42-50)53-19-12-20-56(44-53)67(55-40-36-49(37-41-55)58-25-13-29-65-66(58)61-24-6-9-28-64(61)69-65)54-38-34-47(35-39-54)46-30-32-48(33-31-46)52-18-11-21-57(43-52)68-62-26-7-4-22-59(62)60-23-5-8-27-63(60)68/h1-44H
• InChIKey: BQOROXZLVMREOM-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-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-(3-phenylphenyl)aniline?

The IUPAC name of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-(3-phenylphenyl)aniline (CID 155398231) is N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-(3-phenylphenyl)aniline.

What is the SMILES notation for N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-(3-phenylphenyl)aniline?

The canonical SMILES for N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-(3-phenylphenyl)aniline is c1ccc(-c2cccc(-c3cccc(N(c4ccc(-c5ccc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)cc5)cc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)c3)c2)cc1.

What is the InChIKey of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-(3-phenylphenyl)aniline?

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

What are the key properties of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-(3-phenylphenyl)aniline?

N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-(3-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-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-(3-phenylphenyl)aniline is sourced from PubChem (CID 155398231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).