4-(3-carbazol-9-ylphenyl)-2,3,5,6-tetradeuterio-N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline

C54H36N2O — CID 166581571

About 4-(3-carbazol-9-ylphenyl)-2,3,5,6-tetradeuterio-N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline

4-(3-carbazol-9-ylphenyl)-2,3,5,6-tetradeuterio-N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline (PubChem CID 166581571) has the molecular formula C54H36N2O and a molecular weight of 732.92 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-2,3,5,6-tetradeuterio-N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: 4-(3-carbazol-9-ylphenyl)-2,3,5,6-tetradeuterio-N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
• PubChem CID: 166581571
• Molecular Formula: C54H36N2O
• Molecular Weight: 732.92 g/mol
• Exact Mass: 732.31
• IUPAC Name: 4-(3-carbazol-9-ylphenyl)-2,3,5,6-tetradeuterio-N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
• SMILES: [2H]c1c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c([2H])c([2H])c1-c1cccc(-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C54H36N2O/c1-2-11-37(12-3-1)38-21-28-43(29-22-38)55(45-32-25-40(26-33-45)42-27-34-50-49-17-6-9-20-53(49)57-54(50)36-42)44-30-23-39(24-31-44)41-13-10-14-46(35-41)56-51-18-7-4-15-47(51)48-16-5-8-19-52(48)56/h1-36H/i23D,24D,30D,31D
• InChIKey: GPZSMIUOQIFMHY-RWJFTGPSSA-N
• XLogP: 15.15
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.92
LogP ≤ 5	15.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-2,3,5,6-tetradeuterio-N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline?

The IUPAC name of 4-(3-carbazol-9-ylphenyl)-2,3,5,6-tetradeuterio-N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline (CID 166581571) is 4-(3-carbazol-9-ylphenyl)-2,3,5,6-tetradeuterio-N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline.

What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-2,3,5,6-tetradeuterio-N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline?

The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-2,3,5,6-tetradeuterio-N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline is [2H]c1c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c([2H])c([2H])c1-c1cccc(-n2c3ccccc3c3ccccc32)c1.

What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-2,3,5,6-tetradeuterio-N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline?

The InChIKey is GPZSMIUOQIFMHY-RWJFTGPSSA-N. The full InChI is InChI=1S/C54H36N2O/c1-2-11-37(12-3-1)38-21-28-43(29-22-38)55(45-32-25-40(26-33-45)42-27-34-50-49-17-6-9-20-53(49)57-54(50)36-42)44-30-23-39(24-31-44)41-13-10-14-46(35-41)56-51-18-7-4-15-47(51)48-16-5-8-19-52(48)56/h1-36H/i23D,24D,30D,31D.

What are the key properties of 4-(3-carbazol-9-ylphenyl)-2,3,5,6-tetradeuterio-N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline?

4-(3-carbazol-9-ylphenyl)-2,3,5,6-tetradeuterio-N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline has a molecular weight of 732.92 g/mol, XLogP of 15.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-carbazol-9-ylphenyl)-2,3,5,6-tetradeuterio-N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 166581571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).