2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole

C64H36F3N5OS — CID 155160159

About 2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole

2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole (PubChem CID 155160159) has the molecular formula C64H36F3N5OS and a molecular weight of 980.09 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole.

Molecular Properties

• Compound Name: 2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole
• PubChem CID: 155160159
• Molecular Formula: C64H36F3N5OS
• Molecular Weight: 980.09 g/mol
• Exact Mass: 979.26
• IUPAC Name: 2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole
• SMILES: FC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(oc3ccccc32)c1-n1c2ccc(-c3ccc4sc5ccccc5c4c3)cc2c2cc3c(cc21)c1ccccc1n3-c1ccccc1
• InChI: InChI=1S/C64H36F3N5OS/c65-64(66,67)50-34-49(63-69-61(37-16-4-1-5-17-37)68-62(70-63)38-18-6-2-7-19-38)58-44-24-11-14-26-55(44)73-60(58)59(50)72-52-30-28-39(40-29-31-57-48(33-40)43-23-12-15-27-56(43)74-57)32-45(52)47-36-53-46(35-54(47)72)42-22-10-13-25-51(42)71(53)41-20-8-3-9-21-41/h1-36H
• InChIKey: BXHUYAHDGNQLNR-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 2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole?

The IUPAC name of 2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole (CID 155160159) is 2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole.

What is the SMILES notation for 2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole?

The canonical SMILES for 2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole is FC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(oc3ccccc32)c1-n1c2ccc(-c3ccc4sc5ccccc5c4c3)cc2c2cc3c(cc21)c1ccccc1n3-c1ccccc1.

What is the InChIKey of 2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole?

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

What are the key properties of 2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole?

2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]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 2-dibenzothiophen-2-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-11-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 155160159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).