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

C106H69F3N8S2 — CID 161149677

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

9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-methyl-2-(trifluoromethyl)phenyl]carbazole (PubChem CID 161149677) has the molecular formula C106H69F3N8S2 and a molecular weight of 1575.90 g/mol. Its IUPAC name is 9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-methyl-2-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-methyl-2-(trifluoromethyl)phenyl]carbazole
• PubChem CID: 161149677
• Molecular Formula: C106H69F3N8S2
• Molecular Weight: 1575.90 g/mol
• Exact Mass: 1574.50
• IUPAC Name: 9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-methyl-2-(trifluoromethyl)phenyl]carbazole
• SMILES: Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc4c(c3)sc3ccccc34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c1.Cc1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C(F)(F)F)c1
• InChI: InChI=1S/C53H33F3N4S.C53H36N4S/c1-32-20-24-38(44(28-32)53(54,55)56)37-22-25-40-39-16-8-10-18-45(39)60(47(40)30-37)46-27-23-35(36-21-26-42-41-17-9-11-19-48(41)61-49(42)31-36)29-43(46)52-58-50(33-12-4-2-5-13-33)57-51(59-52)34-14-6-3-7-15-34;1-33-21-25-40(34(2)29-33)39-24-28-47-44(31-39)41-17-9-11-19-46(41)57(47)48-27-23-37(38-22-26-43-42-18-10-12-20-49(42)58-50(43)32-38)30-45(48)53-55-51(35-13-5-3-6-14-35)54-52(56-53)36-15-7-4-8-16-36/h2-31H,1H3;3-32H,1-2H3
• InChIKey: UOMXEANVNKTNDW-UHFFFAOYSA-N
• XLogP: 29.29
• TPSA: 87.20 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1575.90
LogP ≤ 5	29.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-methyl-2-(trifluoromethyl)phenyl]carbazole (CID 161149677) is 9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-methyl-2-(trifluoromethyl)phenyl]carbazole.

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

The canonical SMILES for 9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-methyl-2-(trifluoromethyl)phenyl]carbazole is Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc4c(c3)sc3ccccc34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c1.Cc1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C(F)(F)F)c1.

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

The InChIKey is UOMXEANVNKTNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33F3N4S.C53H36N4S/c1-32-20-24-38(44(28-32)53(54,55)56)37-22-25-40-39-16-8-10-18-45(39)60(47(40)30-37)46-27-23-35(36-21-26-42-41-17-9-11-19-48(41)61-49(42)31-36)29-43(46)52-58-50(33-12-4-2-5-13-33)57-51(59-52)34-14-6-3-7-15-34;1-33-21-25-40(34(2)29-33)39-24-28-47-44(31-39)41-17-9-11-19-46(41)57(47)48-27-23-37(38-22-26-43-42-18-10-12-20-49(42)58-50(43)32-38)30-45(48)53-55-51(35-13-5-3-6-14-35)54-52(56-53)36-15-7-4-8-16-36/h2-31H,1H3;3-32H,1-2H3.

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

9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-methyl-2-(trifluoromethyl)phenyl]carbazole has a molecular weight of 1575.90 g/mol, XLogP of 29.29, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole;9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-methyl-2-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 161149677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).