5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-2,7-diphenylindolo[2,3-b]carbazole

C58H34F3N5O — CID 155159521

About 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-2,7-diphenylindolo[2,3-b]carbazole

5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-2,7-diphenylindolo[2,3-b]carbazole (PubChem CID 155159521) has the molecular formula C58H34F3N5O and a molecular weight of 873.94 g/mol. Its IUPAC name is 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-2,7-diphenylindolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-2,7-diphenylindolo[2,3-b]carbazole
• PubChem CID: 155159521
• Molecular Formula: C58H34F3N5O
• Molecular Weight: 873.94 g/mol
• Exact Mass: 873.27
• IUPAC Name: 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-2,7-diphenylindolo[2,3-b]carbazole
• SMILES: FC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(oc3ccccc32)c1-n1c2ccc(-c3ccccc3)cc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21
• InChI: InChI=1S/C58H34F3N5O/c59-58(60,61)46-33-45(57-63-55(36-19-7-2-8-20-36)62-56(64-57)37-21-9-3-10-22-37)52-41-26-14-16-28-51(41)67-54(52)53(46)66-48-30-29-38(35-17-5-1-6-18-35)31-42(48)44-32-43-40-25-13-15-27-47(40)65(49(43)34-50(44)66)39-23-11-4-12-24-39/h1-34H
• InChIKey: ISOMNEGCLVKNIR-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 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-2,7-diphenylindolo[2,3-b]carbazole?

The IUPAC name of 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-2,7-diphenylindolo[2,3-b]carbazole (CID 155159521) is 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-2,7-diphenylindolo[2,3-b]carbazole.

What is the SMILES notation for 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-2,7-diphenylindolo[2,3-b]carbazole?

The canonical SMILES for 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-2,7-diphenylindolo[2,3-b]carbazole is FC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(oc3ccccc32)c1-n1c2ccc(-c3ccccc3)cc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21.

What is the InChIKey of 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-2,7-diphenylindolo[2,3-b]carbazole?

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

What are the key properties of 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-2,7-diphenylindolo[2,3-b]carbazole?

5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-2,7-diphenylindolo[2,3-b]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 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-2,7-diphenylindolo[2,3-b]carbazole is sourced from PubChem (CID 155159521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).