bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylphenyl]-diphenylsulfanium;dimethyl(phenyl)sulfanium;dinaphthalen-1-yl(phenyl)sulfanium;diphenyliodanium;[4-(2-methoxy-2-oxoethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium

C137H136F3INO4S6+7 — CID 162018066

IUPACbis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylphenyl]-diphenylsulfanium;dimethyl(phenyl)sulfanium;dinaphthalen-1-yl(phenyl)sulfanium;diphenyliodanium;[4-(2-methoxy-2-oxoethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium
SMILESCC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)C(F)(F)F)cc1.COC(=O)COc1c(C)cc([S+](c2ccccc2)c2ccccc2)cc1C.C[S+](C)c1ccccc1.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCCCN(C)C.c1ccc([I+]c2ccccc2)cc1.c1ccc([S+](c2cccc3ccccc23)c2cccc3ccccc23)cc1.c1ccc([S+](c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C26H19S.C25H30NOS.C23H23O3S.C22H17S.C21H26F3S.C12H10I.C8H11S/c1-2-14-22(15-3-1)27(25-18-8-12-20-10-4-6-16-23(20)25)26-19-9-13-21-11-5-7-17-24(21)26;1-20-18-24(19-21(2)25(20)27-17-11-16-26(3)4)28(22-12-7-5-8-13-22)23-14-9-6-10-15-23;1-17-14-21(15-18(2)23(17)26-16-22(24)25-3)27(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-3-12-19(13-4-1)23(20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22;1-19(2,3)15-7-11-17(12-8-15)25(21(22,23)24)18-13-9-16(10-14-18)20(4,5)6;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-9(2)8-6-4-3-5-7-8/h1-19H;5-10,12-15,18-19H,11,16-17H2,1-4H3;4-15H,16H2,1-3H3;1-17H;7-14H,1-6H3;1-10H;3-7H,1-2H3/q7*+1
InChIKeyYUJOHWNCAJMZNE-UHFFFAOYSA-N
MW2236.90 g/mol
LogP32.28
Rot. Bonds25

About bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylphenyl]-diphenylsulfanium;dimethyl(phenyl)sulfanium;dinaphthalen-1-yl(phenyl)sulfanium;diphenyliodanium;[4-(2-methoxy-2-oxoethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium

bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylphenyl]-diphenylsulfanium;dimethyl(phenyl)sulfanium;dinaphthalen-1-yl(phenyl)sulfanium;diphenyliodanium;[4-(2-methoxy-2-oxoethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium (PubChem CID 162018066) has the molecular formula C137H136F3INO4S6+7 and a molecular weight of 2236.90 g/mol. Its IUPAC name is bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylphenyl]-diphenylsulfanium;dimethyl(phenyl)sulfanium;dinaphthalen-1-yl(phenyl)sulfanium;diphenyliodanium;[4-(2-methoxy-2-oxoethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium.

Molecular Properties

Compound Namebis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylphenyl]-diphenylsulfanium;dimethyl(phenyl)sulfanium;dinaphthalen-1-yl(phenyl)sulfanium;diphenyliodanium;[4-(2-methoxy-2-oxoethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium
PubChem CID162018066
Molecular FormulaC137H136F3INO4S6+7
Molecular Weight2236.90 g/mol
Exact Mass2234.78
IUPAC Namebis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylphenyl]-diphenylsulfanium;dimethyl(phenyl)sulfanium;dinaphthalen-1-yl(phenyl)sulfanium;diphenyliodanium;[4-(2-methoxy-2-oxoethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium
SMILESCC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)C(F)(F)F)cc1.COC(=O)COc1c(C)cc([S+](c2ccccc2)c2ccccc2)cc1C.C[S+](C)c1ccccc1.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCCCN(C)C.c1ccc([I+]c2ccccc2)cc1.c1ccc([S+](c2cccc3ccccc23)c2cccc3ccccc23)cc1.c1ccc([S+](c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C26H19S.C25H30NOS.C23H23O3S.C22H17S.C21H26F3S.C12H10I.C8H11S/c1-2-14-22(15-3-1)27(25-18-8-12-20-10-4-6-16-23(20)25)26-19-9-13-21-11-5-7-17-24(21)26;1-20-18-24(19-21(2)25(20)27-17-11-16-26(3)4)28(22-12-7-5-8-13-22)23-14-9-6-10-15-23;1-17-14-21(15-18(2)23(17)26-16-22(24)25-3)27(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-3-12-19(13-4-1)23(20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22;1-19(2,3)15-7-11-17(12-8-15)25(21(22,23)24)18-13-9-16(10-14-18)20(4,5)6;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-9(2)8-6-4-3-5-7-8/h1-19H;5-10,12-15,18-19H,11,16-17H2,1-4H3;4-15H,16H2,1-3H3;1-17H;7-14H,1-6H3;1-10H;3-7H,1-2H3/q7*+1
InChIKeyYUJOHWNCAJMZNE-UHFFFAOYSA-N
XLogP32.28
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds25
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002236.90
LogP ≤ 532.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylphenyl]-diphenylsulfanium;dimethyl(phenyl)sulfanium;dinaphthalen-1-yl(phenyl)sulfanium;diphenyliodanium;[4-(2-methoxy-2-oxoethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium with MolForge

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Related Compounds

[4-(2-acetyloxyacetyl)oxy-3,5-dimethylphenyl]-diphenylsulfanium;bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;diphenyl(trifluoromethyl)sulfanium
CID 157384975
bis(4-tert-butylphenyl)-[4-(carboxymethoxy)-3,5-dimethylphenyl]sulfanium
CID 140622341
[3,5-dimethyl-4-[2-(2-naphthalen-2-ylpropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium
CID 169017505
bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;dimethyl(phenyl)sulfanium;diphenyl(trifluoromethyl)sulfanium;5-(4-hexoxy-3,5-dimethylphenyl)dibenzothiophen-5-ium;(4-methoxy-3,5-dimethylphenyl)-phenyl-(trifluoromethyl)sulfanium;10-phenylthioxanthen-10-ium-9-one;tributylsulfanium;trimethylsulfanium
CID 163815075
[4-[2-[2-(2,3-dihydro-1H-inden-2-yl)propan-2-yloxy]-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium
CID 169017261
[4-[2-(3-ethylpentan-3-yloxy)-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium
CID 58481029
[3,5-dimethyl-4-[2-(1-naphthalen-1-ylcyclopentyl)oxy-2-oxoethoxy]phenyl]-diphenylsulfanium
CID 169017224
[4-[2-[2-(1-benzofuran-3-yl)propan-2-yloxy]-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium
CID 169017878
2-[4-(trifluoromethyl)phenyl]propan-2-yl 2-[2,6-dimethyl-4-(3-methyl-1-benzothiophen-1-ium-1-yl)phenoxy]acetate
CID 169017887
dimethyl-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]naphthalen-1-yl]sulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-dimethylsulfanium
CID 158548261
methyl 2-(4-tert-butyl-2-methyl-6-sulfanylphenoxy)acetate
CID 59083874
[3,5-dimethyl-4-[2-oxo-2-(3,3,4,4,4-pentafluorobutoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]-2-methylphenyl]-diphenylsulfanium;[4-[2-(3,3,4,4,5,5,5-heptafluoropentoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium
CID 159049622

Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylphenyl]-diphenylsulfanium;dimethyl(phenyl)sulfanium;dinaphthalen-1-yl(phenyl)sulfanium;diphenyliodanium;[4-(2-methoxy-2-oxoethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium?
The IUPAC name of bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylphenyl]-diphenylsulfanium;dimethyl(phenyl)sulfanium;dinaphthalen-1-yl(phenyl)sulfanium;diphenyliodanium;[4-(2-methoxy-2-oxoethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium (CID 162018066) is bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylphenyl]-diphenylsulfanium;dimethyl(phenyl)sulfanium;dinaphthalen-1-yl(phenyl)sulfanium;diphenyliodanium;[4-(2-methoxy-2-oxoethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium.
What is the SMILES notation for bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylphenyl]-diphenylsulfanium;dimethyl(phenyl)sulfanium;dinaphthalen-1-yl(phenyl)sulfanium;diphenyliodanium;[4-(2-methoxy-2-oxoethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium?
The canonical SMILES for bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylphenyl]-diphenylsulfanium;dimethyl(phenyl)sulfanium;dinaphthalen-1-yl(phenyl)sulfanium;diphenyliodanium;[4-(2-methoxy-2-oxoethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium is CC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)C(F)(F)F)cc1.COC(=O)COc1c(C)cc([S+](c2ccccc2)c2ccccc2)cc1C.C[S+](C)c1ccccc1.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCCCN(C)C.c1ccc([I+]c2ccccc2)cc1.c1ccc([S+](c2cccc3ccccc23)c2cccc3ccccc23)cc1.c1ccc([S+](c2ccccc2)c2cccc3ccccc23)cc1.
What is the InChIKey of bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylphenyl]-diphenylsulfanium;dimethyl(phenyl)sulfanium;dinaphthalen-1-yl(phenyl)sulfanium;diphenyliodanium;[4-(2-methoxy-2-oxoethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium?
The InChIKey is YUJOHWNCAJMZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19S.C25H30NOS.C23H23O3S.C22H17S.C21H26F3S.C12H10I.C8H11S/c1-2-14-22(15-3-1)27(25-18-8-12-20-10-4-6-16-23(20)25)26-19-9-13-21-11-5-7-17-24(21)26;1-20-18-24(19-21(2)25(20)27-17-11-16-26(3)4)28(22-12-7-5-8-13-22)23-14-9-6-10-15-23;1-17-14-21(15-18(2)23(17)26-16-22(24)25-3)27(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-3-12-19(13-4-1)23(20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22;1-19(2,3)15-7-11-17(12-8-15)25(21(22,23)24)18-13-9-16(10-14-18)20(4,5)6;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-9(2)8-6-4-3-5-7-8/h1-19H;5-10,12-15,18-19H,11,16-17H2,1-4H3;4-15H,16H2,1-3H3;1-17H;7-14H,1-6H3;1-10H;3-7H,1-2H3/q7*+1.
What are the key properties of bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylphenyl]-diphenylsulfanium;dimethyl(phenyl)sulfanium;dinaphthalen-1-yl(phenyl)sulfanium;diphenyliodanium;[4-(2-methoxy-2-oxoethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium?
bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylphenyl]-diphenylsulfanium;dimethyl(phenyl)sulfanium;dinaphthalen-1-yl(phenyl)sulfanium;diphenyliodanium;[4-(2-methoxy-2-oxoethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium has a molecular weight of 2236.90 g/mol, XLogP of 32.28, 25 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylphenyl]-diphenylsulfanium;dimethyl(phenyl)sulfanium;dinaphthalen-1-yl(phenyl)sulfanium;diphenyliodanium;[4-(2-methoxy-2-oxoethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium is sourced from PubChem (CID 162018066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).