9-[2-[4-(3,6-dimethylcarbazol-9-yl)-3-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole

C52H40F3N5 — CID 157346069

About 9-[2-[4-(3,6-dimethylcarbazol-9-yl)-3-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole

9-[2-[4-(3,6-dimethylcarbazol-9-yl)-3-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole (PubChem CID 157346069) has the molecular formula C52H40F3N5 and a molecular weight of 791.92 g/mol. Its IUPAC name is 9-[2-[4-(3,6-dimethylcarbazol-9-yl)-3-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole.

Molecular Properties

• Compound Name: 9-[2-[4-(3,6-dimethylcarbazol-9-yl)-3-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole
• PubChem CID: 157346069
• Molecular Formula: C52H40F3N5
• Molecular Weight: 791.92 g/mol
• Exact Mass: 791.32
• IUPAC Name: 9-[2-[4-(3,6-dimethylcarbazol-9-yl)-3-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole
• SMILES: Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2cccc(C(F)(F)F)c2)ccc1-c1ccc(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-c2nc(C)nc(C)n2)c1
• InChI: InChI=1S/C52H40F3N5/c1-29-10-17-45-40(22-29)41-23-30(2)11-18-46(41)59(45)49-21-15-37(27-44(49)51-57-33(5)56-34(6)58-51)39-16-14-36(35-8-7-9-38(26-35)52(53,54)55)28-50(39)60-47-19-12-31(3)24-42(47)43-25-32(4)13-20-48(43)60/h7-28H,1-6H3
• InChIKey: MMDCVPLNMJERSO-UHFFFAOYSA-N
• XLogP: 13.94
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.92
LogP ≤ 5	13.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-[2-[4-(3,6-dimethylcarbazol-9-yl)-3-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole (CID 157346069) is 9-[2-[4-(3,6-dimethylcarbazol-9-yl)-3-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole.

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

The canonical SMILES for 9-[2-[4-(3,6-dimethylcarbazol-9-yl)-3-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2cccc(C(F)(F)F)c2)ccc1-c1ccc(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-c2nc(C)nc(C)n2)c1.

What is the InChIKey of 9-[2-[4-(3,6-dimethylcarbazol-9-yl)-3-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole?

The InChIKey is MMDCVPLNMJERSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40F3N5/c1-29-10-17-45-40(22-29)41-23-30(2)11-18-46(41)59(45)49-21-15-37(27-44(49)51-57-33(5)56-34(6)58-51)39-16-14-36(35-8-7-9-38(26-35)52(53,54)55)28-50(39)60-47-19-12-31(3)24-42(47)43-25-32(4)13-20-48(43)60/h7-28H,1-6H3.

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

9-[2-[4-(3,6-dimethylcarbazol-9-yl)-3-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole has a molecular weight of 791.92 g/mol, XLogP of 13.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[4-(3,6-dimethylcarbazol-9-yl)-3-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 157346069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).