3-[4-dibenzofuran-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole

C60H36N2O2 — CID 118565404

About 3-[4-dibenzofuran-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole

3-[4-dibenzofuran-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole (PubChem CID 118565404) has the molecular formula C60H36N2O2 and a molecular weight of 816.96 g/mol. Its IUPAC name is 3-[4-dibenzofuran-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[4-dibenzofuran-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole
• PubChem CID: 118565404
• Molecular Formula: C60H36N2O2
• Molecular Weight: 816.96 g/mol
• Exact Mass: 816.28
• IUPAC Name: 3-[4-dibenzofuran-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6c(-c7ccc8oc9ccccc9c8c7)cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c5c4)ccc32)cc1
• InChI: InChI=1S/C60H36N2O2/c1-3-13-42(14-4-1)61-53-20-10-7-17-44(53)48-31-37(23-27-55(48)61)38-25-29-59-51(33-38)52-36-41(35-47(60(52)64-59)40-26-30-58-50(34-40)46-19-9-12-22-57(46)63-58)39-24-28-56-49(32-39)45-18-8-11-21-54(45)62(56)43-15-5-2-6-16-43/h1-36H
• InChIKey: QUJOJURFEAXRSW-UHFFFAOYSA-N
• XLogP: 16.68
• TPSA: 36.14 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	816.96
LogP ≤ 5	16.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[4-dibenzofuran-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole?

The IUPAC name of 3-[4-dibenzofuran-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole (CID 118565404) is 3-[4-dibenzofuran-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole.

What is the SMILES notation for 3-[4-dibenzofuran-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole?

The canonical SMILES for 3-[4-dibenzofuran-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6c(-c7ccc8oc9ccccc9c8c7)cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c5c4)ccc32)cc1.

What is the InChIKey of 3-[4-dibenzofuran-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole?

The InChIKey is QUJOJURFEAXRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2O2/c1-3-13-42(14-4-1)61-53-20-10-7-17-44(53)48-31-37(23-27-55(48)61)38-25-29-59-51(33-38)52-36-41(35-47(60(52)64-59)40-26-30-58-50(34-40)46-19-9-12-22-57(46)63-58)39-24-28-56-49(32-39)45-18-8-11-21-54(45)62(56)43-15-5-2-6-16-43/h1-36H.

What are the key properties of 3-[4-dibenzofuran-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole?

3-[4-dibenzofuran-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole has a molecular weight of 816.96 g/mol, XLogP of 16.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-dibenzofuran-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 118565404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).