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

C66H44N2O — CID 168789400

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

3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline (PubChem CID 168789400) has the molecular formula C66H44N2O and a molecular weight of 881.09 g/mol. Its IUPAC name is 3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline.

Molecular Properties

• Compound Name: 3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
• PubChem CID: 168789400
• Molecular Formula: C66H44N2O
• Molecular Weight: 881.09 g/mol
• Exact Mass: 880.35
• IUPAC Name: 3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
• SMILES: c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)cc1
• InChI: InChI=1S/C66H44N2O/c1-3-18-45(19-4-1)53-24-7-8-28-60(53)65-54(46-20-5-2-6-21-46)29-16-30-55(65)47-36-40-49(41-37-47)67(50-42-38-48(39-43-50)56-31-17-32-61-59-27-11-14-35-64(59)69-66(56)61)51-22-15-23-52(44-51)68-62-33-12-9-25-57(62)58-26-10-13-34-63(58)68/h1-44H
• InChIKey: PPVZIZXSMIMHPH-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-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline?

The IUPAC name of 3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline (CID 168789400) is 3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline.

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

The canonical SMILES for 3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline is c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)cc1.

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

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

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

3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]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-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 168789400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).