3-[8-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-9-phenylcarbazole

C63H36N4O2S — CID 168768786

About 3-[8-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-9-phenylcarbazole

3-[8-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-9-phenylcarbazole (PubChem CID 168768786) has the molecular formula C63H36N4O2S and a molecular weight of 913.07 g/mol. Its IUPAC name is 3-[8-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[8-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-9-phenylcarbazole
• PubChem CID: 168768786
• Molecular Formula: C63H36N4O2S
• Molecular Weight: 913.07 g/mol
• Exact Mass: 912.26
• IUPAC Name: 3-[8-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3cccc4oc5ccc(-c6ccc7sc8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8c7c6)cc5c34)n2)cc1
• InChI: InChI=1S/C63H36N4O2S/c1-3-13-37(14-4-1)61-64-62(45-19-11-23-55-59(45)44-18-8-10-22-53(44)68-55)66-63(65-61)46-20-12-24-56-60(46)50-36-39(26-30-54(50)69-56)41-28-32-58-49(35-41)48-34-40(27-31-57(48)70-58)38-25-29-52-47(33-38)43-17-7-9-21-51(43)67(52)42-15-5-2-6-16-42/h1-36H
• InChIKey: UOJYDFQCDMCREB-UHFFFAOYSA-N
• XLogP: 17.47
• TPSA: 69.88 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	913.07
LogP ≤ 5	17.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[8-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-9-phenylcarbazole?

The IUPAC name of 3-[8-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-9-phenylcarbazole (CID 168768786) is 3-[8-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-9-phenylcarbazole.

What is the SMILES notation for 3-[8-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-9-phenylcarbazole?

The canonical SMILES for 3-[8-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3cccc4oc5ccc(-c6ccc7sc8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)cc8c7c6)cc5c34)n2)cc1.

What is the InChIKey of 3-[8-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-9-phenylcarbazole?

The InChIKey is UOJYDFQCDMCREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H36N4O2S/c1-3-13-37(14-4-1)61-64-62(45-19-11-23-55-59(45)44-18-8-10-22-53(44)68-55)66-63(65-61)46-20-12-24-56-60(46)50-36-39(26-30-54(50)69-56)41-28-32-58-49(35-41)48-34-40(27-31-57(48)70-58)38-25-29-52-47(33-38)43-17-7-9-21-51(43)67(52)42-15-5-2-6-16-42/h1-36H.

What are the key properties of 3-[8-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-9-phenylcarbazole?

3-[8-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-9-phenylcarbazole has a molecular weight of 913.07 g/mol, XLogP of 17.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[8-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 168768786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).