3-[6-[9-(2-dibenzofuran-3-yl-6-phenyl-4-pyridinyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]-9-phenylcarbazole

C65H38N2O2S — CID 168768798

About 3-[6-[9-(2-dibenzofuran-3-yl-6-phenyl-4-pyridinyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]-9-phenylcarbazole

3-[6-[9-(2-dibenzofuran-3-yl-6-phenyl-4-pyridinyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]-9-phenylcarbazole (PubChem CID 168768798) has the molecular formula C65H38N2O2S and a molecular weight of 911.10 g/mol. Its IUPAC name is 3-[6-[9-(2-dibenzofuran-3-yl-6-phenyl-4-pyridinyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[6-[9-(2-dibenzofuran-3-yl-6-phenyl-4-pyridinyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]-9-phenylcarbazole
• PubChem CID: 168768798
• Molecular Formula: C65H38N2O2S
• Molecular Weight: 911.10 g/mol
• Exact Mass: 910.27
• IUPAC Name: 3-[6-[9-(2-dibenzofuran-3-yl-6-phenyl-4-pyridinyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2cc(-c3cccc4sc5c(-c6cccc7c6oc6ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc67)cccc5c34)cc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
• InChI: InChI=1S/C65H38N2O2S/c1-3-14-39(15-4-1)55-36-43(37-56(66-55)42-28-31-48-47-19-8-10-26-59(47)68-61(48)38-42)45-20-13-27-62-63(45)52-24-12-23-51(65(52)70-62)49-21-11-22-50-54-35-41(30-33-60(54)69-64(49)50)40-29-32-58-53(34-40)46-18-7-9-25-57(46)67(58)44-16-5-2-6-17-44/h1-38H
• InChIKey: PAZIGDFFAYDWRZ-UHFFFAOYSA-N
• XLogP: 18.68
• TPSA: 44.10 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.10
LogP ≤ 5	18.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[6-[9-(2-dibenzofuran-3-yl-6-phenyl-4-pyridinyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]-9-phenylcarbazole (CID 168768798) is 3-[6-[9-(2-dibenzofuran-3-yl-6-phenyl-4-pyridinyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]-9-phenylcarbazole.

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

The canonical SMILES for 3-[6-[9-(2-dibenzofuran-3-yl-6-phenyl-4-pyridinyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]-9-phenylcarbazole is c1ccc(-c2cc(-c3cccc4sc5c(-c6cccc7c6oc6ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc67)cccc5c34)cc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.

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

The InChIKey is PAZIGDFFAYDWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H38N2O2S/c1-3-14-39(15-4-1)55-36-43(37-56(66-55)42-28-31-48-47-19-8-10-26-59(47)68-61(48)38-42)45-20-13-27-62-63(45)52-24-12-23-51(65(52)70-62)49-21-11-22-50-54-35-41(30-33-60(54)69-64(49)50)40-29-32-58-53(34-40)46-18-7-9-25-57(46)67(58)44-16-5-2-6-17-44/h1-38H.

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

3-[6-[9-(2-dibenzofuran-3-yl-6-phenyl-4-pyridinyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]-9-phenylcarbazole has a molecular weight of 911.10 g/mol, XLogP of 18.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[9-(2-dibenzofuran-3-yl-6-phenyl-4-pyridinyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 168768798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).