6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-12-phenylindolo[3,2-c]carbazole

C64H36F3N5OS — CID 155160162

About 6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-12-phenylindolo[3,2-c]carbazole

6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 155160162) has the molecular formula C64H36F3N5OS and a molecular weight of 980.09 g/mol. Its IUPAC name is 6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-12-phenylindolo[3,2-c]carbazole
• PubChem CID: 155160162
• Molecular Formula: C64H36F3N5OS
• Molecular Weight: 980.09 g/mol
• Exact Mass: 979.26
• IUPAC Name: 6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-12-phenylindolo[3,2-c]carbazole
• SMILES: FC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2oc3ccccc3c2c1-n1c2ccccc2c2c1c(-c1ccc3sc4ccccc4c3c1)cc1c3ccccc3n(-c3ccccc3)c12
• InChI: InChI=1S/C64H36F3N5OS/c65-64(66,67)49-36-48(63-69-61(37-18-4-1-5-19-37)68-62(70-63)38-20-6-2-7-21-38)60-56(44-27-12-16-30-52(44)73-60)59(49)72-51-29-15-11-26-43(51)55-57(72)45(39-32-33-54-46(34-39)42-25-13-17-31-53(42)74-54)35-47-41-24-10-14-28-50(41)71(58(47)55)40-22-8-3-9-23-40/h1-36H
• InChIKey: BSJJPLMOVFXTNX-UHFFFAOYSA-N
• XLogP: 18.02
• TPSA: 61.67 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	980.09
LogP ≤ 5	18.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-12-phenylindolo[3,2-c]carbazole?

The IUPAC name of 6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-12-phenylindolo[3,2-c]carbazole (CID 155160162) is 6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-12-phenylindolo[3,2-c]carbazole.

What is the SMILES notation for 6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-12-phenylindolo[3,2-c]carbazole?

The canonical SMILES for 6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-12-phenylindolo[3,2-c]carbazole is FC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2oc3ccccc3c2c1-n1c2ccccc2c2c1c(-c1ccc3sc4ccccc4c3c1)cc1c3ccccc3n(-c3ccccc3)c12.

What is the InChIKey of 6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-12-phenylindolo[3,2-c]carbazole?

The InChIKey is BSJJPLMOVFXTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H36F3N5OS/c65-64(66,67)49-36-48(63-69-61(37-18-4-1-5-19-37)68-62(70-63)38-20-6-2-7-21-38)60-56(44-27-12-16-30-52(44)73-60)59(49)72-51-29-15-11-26-43(51)55-57(72)45(39-32-33-54-46(34-39)42-25-13-17-31-53(42)74-54)35-47-41-24-10-14-28-50(41)71(58(47)55)40-22-8-3-9-23-40/h1-36H.

What are the key properties of 6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-12-phenylindolo[3,2-c]carbazole?

6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 980.09 g/mol, XLogP of 18.02, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 155160162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).