5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole

C56H36F6N4 — CID 155447368

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

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole (PubChem CID 155447368) has the molecular formula C56H36F6N4 and a molecular weight of 878.92 g/mol. Its IUPAC name is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole.

Molecular Properties

• Compound Name: 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole
• PubChem CID: 155447368
• Molecular Formula: C56H36F6N4
• Molecular Weight: 878.92 g/mol
• Exact Mass: 878.28
• IUPAC Name: 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole
• SMILES: CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1c(-c2ccccc2C(F)(F)F)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccccc1C(F)(F)F
• InChI: InChI=1S/C56H36F6N4/c1-54(2)43-25-13-9-21-36(43)39-29-30-47-48(49(39)54)40-24-12-16-28-46(40)66(47)50-41(37-22-10-14-26-44(37)55(57,58)59)31-35(32-42(50)38-23-11-15-27-45(38)56(60,61)62)53-64-51(33-17-5-3-6-18-33)63-52(65-53)34-19-7-4-8-20-34/h3-32H,1-2H3
• InChIKey: BABCUFHJNOAKIG-UHFFFAOYSA-N
• XLogP: 15.65
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	878.92
LogP ≤ 5	15.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole (CID 155447368) is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole.

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

The canonical SMILES for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole is CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1c(-c2ccccc2C(F)(F)F)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccccc1C(F)(F)F.

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

The InChIKey is BABCUFHJNOAKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36F6N4/c1-54(2)43-25-13-9-21-36(43)39-29-30-47-48(49(39)54)40-24-12-16-28-46(40)66(47)50-41(37-22-10-14-26-44(37)55(57,58)59)31-35(32-42(50)38-23-11-15-27-45(38)56(60,61)62)53-64-51(33-17-5-3-6-18-33)63-52(65-53)34-19-7-4-8-20-34/h3-32H,1-2H3.

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

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole has a molecular weight of 878.92 g/mol, XLogP of 15.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole is sourced from PubChem (CID 155447368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).