2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,5-dimethylphenyl)carbazole

C61H38F6N4S — CID 159803702

About 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,5-dimethylphenyl)carbazole

2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,5-dimethylphenyl)carbazole (PubChem CID 159803702) has the molecular formula C61H38F6N4S and a molecular weight of 973.06 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,5-dimethylphenyl)carbazole.

Molecular Properties

• Compound Name: 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,5-dimethylphenyl)carbazole
• PubChem CID: 159803702
• Molecular Formula: C61H38F6N4S
• Molecular Weight: 973.06 g/mol
• Exact Mass: 972.27
• IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,5-dimethylphenyl)carbazole
• SMILES: Cc1cc(C)cc(-c2ccc3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4n(-c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1
• InChI: InChI=1S/C61H38F6N4S/c1-35-25-36(2)27-43(26-35)40-17-21-47-48-22-18-41(44-28-45(60(62,63)64)34-46(29-44)61(65,66)67)32-54(48)71(53(47)31-40)52-24-20-39(42-19-23-50-49-15-9-10-16-55(49)72-56(50)33-42)30-51(52)59-69-57(37-11-5-3-6-12-37)68-58(70-59)38-13-7-4-8-14-38/h3-34H,1-2H3
• InChIKey: LIKREHHGWADKGN-UHFFFAOYSA-N
• XLogP: 17.99
• TPSA: 43.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	973.06
LogP ≤ 5	17.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,5-dimethylphenyl)carbazole?

The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,5-dimethylphenyl)carbazole (CID 159803702) is 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,5-dimethylphenyl)carbazole.

What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,5-dimethylphenyl)carbazole?

The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,5-dimethylphenyl)carbazole is Cc1cc(C)cc(-c2ccc3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4n(-c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c1.

What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,5-dimethylphenyl)carbazole?

The InChIKey is LIKREHHGWADKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38F6N4S/c1-35-25-36(2)27-43(26-35)40-17-21-47-48-22-18-41(44-28-45(60(62,63)64)34-46(29-44)61(65,66)67)32-54(48)71(53(47)31-40)52-24-20-39(42-19-23-50-49-15-9-10-16-55(49)72-56(50)33-42)30-51(52)59-69-57(37-11-5-3-6-12-37)68-58(70-59)38-13-7-4-8-14-38/h3-34H,1-2H3.

What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,5-dimethylphenyl)carbazole?

2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,5-dimethylphenyl)carbazole has a molecular weight of 973.06 g/mol, XLogP of 17.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,5-dimethylphenyl)carbazole is sourced from PubChem (CID 159803702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).