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

C52H30F3N5O — CID 155159516

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

5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 155159516) has the molecular formula C52H30F3N5O and a molecular weight of 797.84 g/mol. Its IUPAC name is 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole
• PubChem CID: 155159516
• Molecular Formula: C52H30F3N5O
• Molecular Weight: 797.84 g/mol
• Exact Mass: 797.24
• IUPAC Name: 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole
• SMILES: FC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(oc3ccccc32)c1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21
• InChI: InChI=1S/C52H30F3N5O/c53-52(54,55)40-29-39(51-57-49(31-16-4-1-5-17-31)56-50(58-51)32-18-6-2-7-19-32)46-36-24-12-15-27-45(36)61-48(46)47(40)60-42-26-14-11-23-35(42)38-28-37-34-22-10-13-25-41(34)59(43(37)30-44(38)60)33-20-8-3-9-21-33/h1-30H
• InChIKey: KBSZTTVEJFVXSL-UHFFFAOYSA-N
• XLogP: 13.98
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	797.84
LogP ≤ 5	13.98
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]-7-phenylindolo[2,3-b]carbazole?

The IUPAC name of 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole (CID 155159516) is 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-7-phenylindolo[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]-7-phenylindolo[2,3-b]carbazole?

The canonical SMILES for 5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole is FC(F)(F)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c(oc3ccccc32)c1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21.

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

The InChIKey is KBSZTTVEJFVXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30F3N5O/c53-52(54,55)40-29-39(51-57-49(31-16-4-1-5-17-31)56-50(58-51)32-18-6-2-7-19-32)46-36-24-12-15-27-45(36)61-48(46)47(40)60-42-26-14-11-23-35(42)38-28-37-34-22-10-13-25-41(34)59(43(37)30-44(38)60)33-20-8-3-9-21-33/h1-30H.

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

5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 797.84 g/mol, XLogP of 13.98, 5 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]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 155159516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).