3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]carbazole

C82H50F3N11 — CID 138554386

About 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]carbazole

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]carbazole (PubChem CID 138554386) has the molecular formula C82H50F3N11 and a molecular weight of 1246.37 g/mol. Its IUPAC name is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

• Compound Name: 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]carbazole
• PubChem CID: 138554386
• Molecular Formula: C82H50F3N11
• Molecular Weight: 1246.37 g/mol
• Exact Mass: 1245.42
• IUPAC Name: 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]carbazole
• SMILES: FC(F)(F)c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1
• InChI: InChI=1S/C82H50F3N11/c83-82(84,85)60-42-43-63(72(50-60)96-68-38-22-20-36-62(68)65-48-58(41-46-71(65)96)80-91-75(53-27-11-3-12-28-53)87-76(92-80)54-29-13-4-14-30-54)66-49-59(81-93-77(55-31-15-5-16-32-55)88-78(94-81)56-33-17-6-18-34-56)40-45-70(66)95-67-37-21-19-35-61(67)64-47-57(39-44-69(64)95)79-89-73(51-23-7-1-8-24-51)86-74(90-79)52-25-9-2-10-26-52/h1-50H
• InChIKey: XHETYTXKBXRHEV-UHFFFAOYSA-N
• XLogP: 20.12
• TPSA: 125.87 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1246.37
LogP ≤ 5	20.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]carbazole?

The IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]carbazole (CID 138554386) is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]carbazole.

What is the SMILES notation for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]carbazole?

The canonical SMILES for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]carbazole is FC(F)(F)c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1.

What is the InChIKey of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]carbazole?

The InChIKey is XHETYTXKBXRHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H50F3N11/c83-82(84,85)60-42-43-63(72(50-60)96-68-38-22-20-36-62(68)65-48-58(41-46-71(65)96)80-91-75(53-27-11-3-12-28-53)87-76(92-80)54-29-13-4-14-30-54)66-49-59(81-93-77(55-31-15-5-16-32-55)88-78(94-81)56-33-17-6-18-34-56)40-45-70(66)95-67-37-21-19-35-61(67)64-47-57(39-44-69(64)95)79-89-73(51-23-7-1-8-24-51)86-74(90-79)52-25-9-2-10-26-52/h1-50H.

What are the key properties of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]carbazole?

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]carbazole has a molecular weight of 1246.37 g/mol, XLogP of 20.12, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 138554386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).