3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole

C59H36N2O2 — CID 168768511

About 3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole

3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole (PubChem CID 168768511) has the molecular formula C59H36N2O2 and a molecular weight of 804.95 g/mol. Its IUPAC name is 3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole.

Molecular Properties

• Compound Name: 3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole
• PubChem CID: 168768511
• Molecular Formula: C59H36N2O2
• Molecular Weight: 804.95 g/mol
• Exact Mass: 804.28
• IUPAC Name: 3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole
• SMILES: c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6oc7cccc(-c8cc(-c9ccc%10c(c9)oc9ccccc9%10)cc(-c9ccccc9)n8)c7c6c5)ccc43)c2)cc1
• InChI: InChI=1S/C59H36N2O2/c1-3-13-37(14-4-1)39-17-11-18-44(31-39)61-53-22-9-7-19-45(53)49-32-40(26-29-54(49)61)41-27-30-56-50(33-41)59-48(21-12-24-57(59)62-56)52-35-43(34-51(60-52)38-15-5-2-6-16-38)42-25-28-47-46-20-8-10-23-55(46)63-58(47)36-42/h1-36H
• InChIKey: TVUGUCDRRYBAKB-UHFFFAOYSA-N
• XLogP: 16.31
• TPSA: 44.10 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	804.95
LogP ≤ 5	16.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole?

The IUPAC name of 3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole (CID 168768511) is 3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole.

What is the SMILES notation for 3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole?

The canonical SMILES for 3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6oc7cccc(-c8cc(-c9ccc%10c(c9)oc9ccccc9%10)cc(-c9ccccc9)n8)c7c6c5)ccc43)c2)cc1.

What is the InChIKey of 3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole?

The InChIKey is TVUGUCDRRYBAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N2O2/c1-3-13-37(14-4-1)39-17-11-18-44(31-39)61-53-22-9-7-19-45(53)49-32-40(26-29-54(49)61)41-27-30-56-50(33-41)59-48(21-12-24-57(59)62-56)52-35-43(34-51(60-52)38-15-5-2-6-16-38)42-25-28-47-46-20-8-10-23-55(46)63-58(47)36-42/h1-36H.

What are the key properties of 3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole?

3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole has a molecular weight of 804.95 g/mol, XLogP of 16.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 168768511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).