(4-tert-butylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-cyclohexylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(3,4-dimethylphenyl)-(4-fluorophenyl)-[3-methyl-4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-(4-methylphenyl)sulfanium;(4-methoxyphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)sulfanium

C138H124F24OS6+6 — CID 163987636

IUPAC(4-tert-butylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-cyclohexylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(3,4-dimethylphenyl)-(4-fluorophenyl)-[3-methyl-4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-(4-methylphenyl)sulfanium;(4-methoxyphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)sulfanium
SMILESCOc1ccc([S+](c2ccc(C)cc2)c2ccc(C(F)(F)F)cc2)cc1.Cc1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(F)(F)F)cc2)cc1.Cc1ccc([S+](c2ccc(C(F)(F)F)cc2)c2c(C)cc(C)cc2C)cc1.Cc1ccc([S+](c2ccc(C3CCCCC3)cc2)c2ccc(C(F)(F)F)cc2)cc1.Cc1ccc([S+](c2ccc(F)cc2)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)cc1.Cc1ccc([S+](c2ccc(F)cc2)c2ccc(C(F)(F)F)c(C)c2)cc1C
InChIInChI=1S/C26H26F3S.C24H24F3S.C23H22F3S.C22H15F8S.C22H19F4S.C21H18F3OS/c1-19-7-13-23(14-8-19)30(25-17-11-22(12-18-25)26(27,28)29)24-15-9-21(10-16-24)20-5-3-2-4-6-20;1-17-5-11-20(12-6-17)28(21-13-7-18(8-14-21)23(2,3)4)22-15-9-19(10-16-22)24(25,26)27;1-15-5-9-20(10-6-15)27(22-17(3)13-16(2)14-18(22)4)21-11-7-19(8-12-21)23(24,25)26;1-14-2-8-17(9-3-14)31(19-12-6-16(23)7-13-19)18-10-4-15(5-11-18)20(24,21(25,26)27)22(28,29)30;1-14-4-7-19(12-15(14)2)27(18-8-5-17(23)6-9-18)20-10-11-21(16(3)13-20)22(24,25)26;1-15-3-9-18(10-4-15)26(20-13-7-17(25-2)8-14-20)19-11-5-16(6-12-19)21(22,23)24/h7-18,20H,2-6H2,1H3;5-16H,1-4H3;5-14H,1-4H3;2-13H,1H3;4-13H,1-3H3;3-14H,1-2H3/q6*+1
InChIKeyTXTIWPJJUVBTPR-UHFFFAOYSA-N
MW2446.86 g/mol
LogP43.10
Rot. Bonds21

About (4-tert-butylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-cyclohexylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(3,4-dimethylphenyl)-(4-fluorophenyl)-[3-methyl-4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-(4-methylphenyl)sulfanium;(4-methoxyphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)sulfanium

(4-tert-butylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-cyclohexylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(3,4-dimethylphenyl)-(4-fluorophenyl)-[3-methyl-4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-(4-methylphenyl)sulfanium;(4-methoxyphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)sulfanium (PubChem CID 163987636) has the molecular formula C138H124F24OS6+6 and a molecular weight of 2446.86 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-cyclohexylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(3,4-dimethylphenyl)-(4-fluorophenyl)-[3-methyl-4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-(4-methylphenyl)sulfanium;(4-methoxyphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)sulfanium.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-cyclohexylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(3,4-dimethylphenyl)-(4-fluorophenyl)-[3-methyl-4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-(4-methylphenyl)sulfanium;(4-methoxyphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)sulfanium
PubChem CID163987636
Molecular FormulaC138H124F24OS6+6
Molecular Weight2446.86 g/mol
Exact Mass2444.76
IUPAC Name(4-tert-butylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-cyclohexylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(3,4-dimethylphenyl)-(4-fluorophenyl)-[3-methyl-4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-(4-methylphenyl)sulfanium;(4-methoxyphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)sulfanium
SMILESCOc1ccc([S+](c2ccc(C)cc2)c2ccc(C(F)(F)F)cc2)cc1.Cc1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(F)(F)F)cc2)cc1.Cc1ccc([S+](c2ccc(C(F)(F)F)cc2)c2c(C)cc(C)cc2C)cc1.Cc1ccc([S+](c2ccc(C3CCCCC3)cc2)c2ccc(C(F)(F)F)cc2)cc1.Cc1ccc([S+](c2ccc(F)cc2)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)cc1.Cc1ccc([S+](c2ccc(F)cc2)c2ccc(C(F)(F)F)c(C)c2)cc1C
InChIInChI=1S/C26H26F3S.C24H24F3S.C23H22F3S.C22H15F8S.C22H19F4S.C21H18F3OS/c1-19-7-13-23(14-8-19)30(25-17-11-22(12-18-25)26(27,28)29)24-15-9-21(10-16-24)20-5-3-2-4-6-20;1-17-5-11-20(12-6-17)28(21-13-7-18(8-14-21)23(2,3)4)22-15-9-19(10-16-22)24(25,26)27;1-15-5-9-20(10-6-15)27(22-17(3)13-16(2)14-18(22)4)21-11-7-19(8-12-21)23(24,25)26;1-14-2-8-17(9-3-14)31(19-12-6-16(23)7-13-19)18-10-4-15(5-11-18)20(24,21(25,26)27)22(28,29)30;1-14-4-7-19(12-15(14)2)27(18-8-5-17(23)6-9-18)20-10-11-21(16(3)13-20)22(24,25)26;1-15-3-9-18(10-4-15)26(20-13-7-17(25-2)8-14-20)19-11-5-16(6-12-19)21(22,23)24/h7-18,20H,2-6H2,1H3;5-16H,1-4H3;5-14H,1-4H3;2-13H,1H3;4-13H,1-3H3;3-14H,1-2H3/q6*+1
InChIKeyTXTIWPJJUVBTPR-UHFFFAOYSA-N
XLogP43.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms169
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002446.86
LogP ≤ 543.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze (4-tert-butylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-cyclohexylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(3,4-dimethylphenyl)-(4-fluorophenyl)-[3-methyl-4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-(4-methylphenyl)sulfanium;(4-methoxyphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)sulfanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-cyclohexylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(3,4-dimethylphenyl)-(4-fluorophenyl)-[3-methyl-4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-(4-methylphenyl)sulfanium;(4-methoxyphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)sulfanium?
The IUPAC name of (4-tert-butylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-cyclohexylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(3,4-dimethylphenyl)-(4-fluorophenyl)-[3-methyl-4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-(4-methylphenyl)sulfanium;(4-methoxyphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)sulfanium (CID 163987636) is (4-tert-butylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-cyclohexylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(3,4-dimethylphenyl)-(4-fluorophenyl)-[3-methyl-4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-(4-methylphenyl)sulfanium;(4-methoxyphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)sulfanium.
What is the SMILES notation for (4-tert-butylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-cyclohexylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(3,4-dimethylphenyl)-(4-fluorophenyl)-[3-methyl-4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-(4-methylphenyl)sulfanium;(4-methoxyphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)sulfanium?
The canonical SMILES for (4-tert-butylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-cyclohexylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(3,4-dimethylphenyl)-(4-fluorophenyl)-[3-methyl-4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-(4-methylphenyl)sulfanium;(4-methoxyphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)sulfanium is COc1ccc([S+](c2ccc(C)cc2)c2ccc(C(F)(F)F)cc2)cc1.Cc1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(F)(F)F)cc2)cc1.Cc1ccc([S+](c2ccc(C(F)(F)F)cc2)c2c(C)cc(C)cc2C)cc1.Cc1ccc([S+](c2ccc(C3CCCCC3)cc2)c2ccc(C(F)(F)F)cc2)cc1.Cc1ccc([S+](c2ccc(F)cc2)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)cc1.Cc1ccc([S+](c2ccc(F)cc2)c2ccc(C(F)(F)F)c(C)c2)cc1C.
What is the InChIKey of (4-tert-butylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-cyclohexylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(3,4-dimethylphenyl)-(4-fluorophenyl)-[3-methyl-4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-(4-methylphenyl)sulfanium;(4-methoxyphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)sulfanium?
The InChIKey is TXTIWPJJUVBTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3S.C24H24F3S.C23H22F3S.C22H15F8S.C22H19F4S.C21H18F3OS/c1-19-7-13-23(14-8-19)30(25-17-11-22(12-18-25)26(27,28)29)24-15-9-21(10-16-24)20-5-3-2-4-6-20;1-17-5-11-20(12-6-17)28(21-13-7-18(8-14-21)23(2,3)4)22-15-9-19(10-16-22)24(25,26)27;1-15-5-9-20(10-6-15)27(22-17(3)13-16(2)14-18(22)4)21-11-7-19(8-12-21)23(24,25)26;1-14-2-8-17(9-3-14)31(19-12-6-16(23)7-13-19)18-10-4-15(5-11-18)20(24,21(25,26)27)22(28,29)30;1-14-4-7-19(12-15(14)2)27(18-8-5-17(23)6-9-18)20-10-11-21(16(3)13-20)22(24,25)26;1-15-3-9-18(10-4-15)26(20-13-7-17(25-2)8-14-20)19-11-5-16(6-12-19)21(22,23)24/h7-18,20H,2-6H2,1H3;5-16H,1-4H3;5-14H,1-4H3;2-13H,1H3;4-13H,1-3H3;3-14H,1-2H3/q6*+1.
What are the key properties of (4-tert-butylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-cyclohexylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(3,4-dimethylphenyl)-(4-fluorophenyl)-[3-methyl-4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-(4-methylphenyl)sulfanium;(4-methoxyphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)sulfanium?
(4-tert-butylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-cyclohexylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(3,4-dimethylphenyl)-(4-fluorophenyl)-[3-methyl-4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-(4-methylphenyl)sulfanium;(4-methoxyphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)sulfanium has a molecular weight of 2446.86 g/mol, XLogP of 43.10, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-cyclohexylphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(3,4-dimethylphenyl)-(4-fluorophenyl)-[3-methyl-4-(trifluoromethyl)phenyl]sulfanium;(4-fluorophenyl)-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-(4-methylphenyl)sulfanium;(4-methoxyphenyl)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium;(4-methylphenyl)-[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)sulfanium is sourced from PubChem (CID 163987636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).