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

C58H34F3N5O — CID 155158572

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

12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-5,6-diphenylindolo[3,2-c]carbazole (PubChem CID 155158572) has the molecular formula C58H34F3N5O and a molecular weight of 873.94 g/mol. Its IUPAC name is 12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-5,6-diphenylindolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-5,6-diphenylindolo[3,2-c]carbazole
• PubChem CID: 155158572
• Molecular Formula: C58H34F3N5O
• Molecular Weight: 873.94 g/mol
• Exact Mass: 873.27
• IUPAC Name: 12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-5,6-diphenylindolo[3,2-c]carbazole
• SMILES: FC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(oc3ccccc32)c1-n1c2ccccc2c2cc(-c3ccccc3)c3c(c4ccccc4n3-c3ccccc3)c21
• InChI: InChI=1S/C58H34F3N5O/c59-58(60,61)45-34-44(57-63-55(36-21-7-2-8-22-36)62-56(64-57)37-23-9-3-10-24-37)49-41-29-15-18-32-48(41)67-54(49)53(45)66-46-30-16-13-27-39(46)43-33-42(35-19-5-1-6-20-35)51-50(52(43)66)40-28-14-17-31-47(40)65(51)38-25-11-4-12-26-38/h1-34H
• InChIKey: QQXFCENEDKYCNV-UHFFFAOYSA-N
• XLogP: 15.65
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	873.94
LogP ≤ 5	15.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-5,6-diphenylindolo[3,2-c]carbazole (CID 155158572) is 12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-5,6-diphenylindolo[3,2-c]carbazole.

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

The canonical SMILES for 12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-5,6-diphenylindolo[3,2-c]carbazole is FC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(oc3ccccc32)c1-n1c2ccccc2c2cc(-c3ccccc3)c3c(c4ccccc4n3-c3ccccc3)c21.

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

The InChIKey is QQXFCENEDKYCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34F3N5O/c59-58(60,61)45-34-44(57-63-55(36-21-7-2-8-22-36)62-56(64-57)37-23-9-3-10-24-37)49-41-29-15-18-32-48(41)67-54(49)53(45)66-46-30-16-13-27-39(46)43-33-42(35-19-5-1-6-20-35)51-50(52(43)66)40-28-14-17-31-47(40)65(51)38-25-11-4-12-26-38/h1-34H.

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

12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-5,6-diphenylindolo[3,2-c]carbazole has a molecular weight of 873.94 g/mol, XLogP of 15.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-5,6-diphenylindolo[3,2-c]carbazole is sourced from PubChem (CID 155158572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).