2-[7-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole

C63H36N4O2S — CID 168767810

About 2-[7-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole

2-[7-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole (PubChem CID 168767810) has the molecular formula C63H36N4O2S and a molecular weight of 913.07 g/mol. Its IUPAC name is 2-[7-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 2-[7-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
• PubChem CID: 168767810
• Molecular Formula: C63H36N4O2S
• Molecular Weight: 913.07 g/mol
• Exact Mass: 912.26
• IUPAC Name: 2-[7-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cccc4sc5cc(-c6ccc7c(c6)oc6ccc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)cc67)ccc5c34)n2)cc1
• InChI: InChI=1S/C63H36N4O2S/c1-3-12-37(13-4-1)61-64-62(42-26-31-55-51(33-42)46-17-8-10-20-54(46)68-55)66-63(65-61)49-18-11-21-58-60(49)48-29-24-41(36-59(48)70-58)40-23-28-47-50-32-38(25-30-56(50)69-57(47)35-40)39-22-27-45-44-16-7-9-19-52(44)67(53(45)34-39)43-14-5-2-6-15-43/h1-36H
• InChIKey: WUAXLBMTJZQKHS-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 2-[7-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole?

The IUPAC name of 2-[7-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole (CID 168767810) is 2-[7-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole.

What is the SMILES notation for 2-[7-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole?

The canonical SMILES for 2-[7-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cccc4sc5cc(-c6ccc7c(c6)oc6ccc(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)cc67)ccc5c34)n2)cc1.

What is the InChIKey of 2-[7-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole?

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

What are the key properties of 2-[7-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole?

2-[7-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzofuran-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 2-[7-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 168767810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).