9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-3-(12-phenyl-12H-fluoreno[1,2-b][1]benzofuran-10-yl)carbazole

C64H38N4OS — CID 90211396

About 9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-3-(12-phenyl-12H-fluoreno[1,2-b][1]benzofuran-10-yl)carbazole

9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-3-(12-phenyl-12H-fluoreno[1,2-b][1]benzofuran-10-yl)carbazole (PubChem CID 90211396) has the molecular formula C64H38N4OS and a molecular weight of 911.10 g/mol. Its IUPAC name is 9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-3-(12-phenyl-12H-fluoreno[1,2-b][1]benzofuran-10-yl)carbazole.

Molecular Properties

• Compound Name: 9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-3-(12-phenyl-12H-fluoreno[1,2-b][1]benzofuran-10-yl)carbazole
• PubChem CID: 90211396
• Molecular Formula: C64H38N4OS
• Molecular Weight: 911.10 g/mol
• Exact Mass: 910.28
• IUPAC Name: 9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-3-(12-phenyl-12H-fluoreno[1,2-b][1]benzofuran-10-yl)carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4sc5ccc(-n6c7ccccc7c7cc(-c8cccc9c8oc8c%10c(ccc89)-c8ccccc8C%10c8ccccc8)ccc76)cc5c4c3)n2)cc1
• InChI: InChI=1S/C64H38N4OS/c1-4-15-38(16-5-1)58-47-23-11-10-21-45(47)48-30-31-50-49-25-14-24-44(60(49)69-61(50)59(48)58)41-27-32-55-51(35-41)46-22-12-13-26-54(46)68(55)43-29-34-57-53(37-43)52-36-42(28-33-56(52)70-57)64-66-62(39-17-6-2-7-18-39)65-63(67-64)40-19-8-3-9-20-40/h1-37,58H
• InChIKey: CSSYQSPOZYUQAE-UHFFFAOYSA-N
• XLogP: 17.06
• TPSA: 56.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.10
LogP ≤ 5	17.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-3-(12-phenyl-12H-fluoreno[1,2-b][1]benzofuran-10-yl)carbazole?

The IUPAC name of 9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-3-(12-phenyl-12H-fluoreno[1,2-b][1]benzofuran-10-yl)carbazole (CID 90211396) is 9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-3-(12-phenyl-12H-fluoreno[1,2-b][1]benzofuran-10-yl)carbazole.

What is the SMILES notation for 9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-3-(12-phenyl-12H-fluoreno[1,2-b][1]benzofuran-10-yl)carbazole?

The canonical SMILES for 9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-3-(12-phenyl-12H-fluoreno[1,2-b][1]benzofuran-10-yl)carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4sc5ccc(-n6c7ccccc7c7cc(-c8cccc9c8oc8c%10c(ccc89)-c8ccccc8C%10c8ccccc8)ccc76)cc5c4c3)n2)cc1.

What is the InChIKey of 9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-3-(12-phenyl-12H-fluoreno[1,2-b][1]benzofuran-10-yl)carbazole?

The InChIKey is CSSYQSPOZYUQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38N4OS/c1-4-15-38(16-5-1)58-47-23-11-10-21-45(47)48-30-31-50-49-25-14-24-44(60(49)69-61(50)59(48)58)41-27-32-55-51(35-41)46-22-12-13-26-54(46)68(55)43-29-34-57-53(37-43)52-36-42(28-33-56(52)70-57)64-66-62(39-17-6-2-7-18-39)65-63(67-64)40-19-8-3-9-20-40/h1-37,58H.

What are the key properties of 9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-3-(12-phenyl-12H-fluoreno[1,2-b][1]benzofuran-10-yl)carbazole?

9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-3-(12-phenyl-12H-fluoreno[1,2-b][1]benzofuran-10-yl)carbazole has a molecular weight of 911.10 g/mol, XLogP of 17.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-3-(12-phenyl-12H-fluoreno[1,2-b][1]benzofuran-10-yl)carbazole is sourced from PubChem (CID 90211396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).