6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole

C58H36N2O — CID 126682058

About 6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole

6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole (PubChem CID 126682058) has the molecular formula C58H36N2O and a molecular weight of 776.94 g/mol. Its IUPAC name is 6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole.

Molecular Properties

• Compound Name: 6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole
• PubChem CID: 126682058
• Molecular Formula: C58H36N2O
• Molecular Weight: 776.94 g/mol
• Exact Mass: 776.28
• IUPAC Name: 6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole
• SMILES: c1ccc2cc(-c3ccc(-n4c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5c5ccc(-c6cccc7c6oc6ccccc67)cc54)cc3)ccc2c1
• InChI: InChI=1S/C58H36N2O/c1-2-11-40-34-41(21-20-37(40)10-1)38-22-30-45(31-23-38)60-55-33-27-42(39-24-28-44(29-25-39)59-53-17-6-3-12-47(53)48-13-4-7-18-54(48)59)35-52(55)49-32-26-43(36-56(49)60)46-15-9-16-51-50-14-5-8-19-57(50)61-58(46)51/h1-36H
• InChIKey: LSKTWNUCNQDLCJ-UHFFFAOYSA-N
• XLogP: 15.93
• TPSA: 23.00 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	776.94
LogP ≤ 5	15.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole?

The IUPAC name of 6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole (CID 126682058) is 6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole.

What is the SMILES notation for 6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole?

The canonical SMILES for 6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole is c1ccc2cc(-c3ccc(-n4c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5c5ccc(-c6cccc7c6oc6ccccc67)cc54)cc3)ccc2c1.

What is the InChIKey of 6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole?

The InChIKey is LSKTWNUCNQDLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2O/c1-2-11-40-34-41(21-20-37(40)10-1)38-22-30-45(31-23-38)60-55-33-27-42(39-24-28-44(29-25-39)59-53-17-6-3-12-47(53)48-13-4-7-18-54(48)59)35-52(55)49-32-26-43(36-56(49)60)46-15-9-16-51-50-14-5-8-19-57(50)61-58(46)51/h1-36H.

What are the key properties of 6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole?

6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole has a molecular weight of 776.94 g/mol, XLogP of 15.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole is sourced from PubChem (CID 126682058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).