tetrakis(dinaphthalen-1-yl(phenyl)sulfanium);1,1,2,2,3,3-hexafluoro-3-(naphthalen-1-ylmethoxy)propane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-phenylmethoxypropane-1-sulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-1-ylmethoxy)ethanesulfonate;1,1,2,2-tetrafluoro-2-naphthalen-2-yloxyethanesulfonate;1,1,2,2-tetrafluoro-2-phenylmethoxyethanesulfonate;triphenylsulfanium

C180H130F24O20S10 — CID 158127298

IUPACtetrakis(dinaphthalen-1-yl(phenyl)sulfanium);1,1,2,2,3,3-hexafluoro-3-(naphthalen-1-ylmethoxy)propane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-phenylmethoxypropane-1-sulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-1-ylmethoxy)ethanesulfonate;1,1,2,2-tetrafluoro-2-naphthalen-2-yloxyethanesulfonate;1,1,2,2-tetrafluoro-2-phenylmethoxyethanesulfonate;triphenylsulfanium
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)OCc1cccc2ccccc12.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)OCc1ccccc1.O=S(=O)([O-])C(F)(F)C(F)(F)OCc1cccc2ccccc12.O=S(=O)([O-])C(F)(F)C(F)(F)OCc1ccccc1.O=S(=O)([O-])C(F)(F)C(F)(F)Oc1ccc2ccccc2c1.c1ccc([S+](c2cccc3ccccc23)c2cccc3ccccc23)cc1.c1ccc([S+](c2cccc3ccccc23)c2cccc3ccccc23)cc1.c1ccc([S+](c2cccc3ccccc23)c2cccc3ccccc23)cc1.c1ccc([S+](c2cccc3ccccc23)c2cccc3ccccc23)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C26H19S.C18H15S.C14H10F6O4S.C13H10F4O4S.C12H8F4O4S.C10H8F6O4S.C9H8F4O4S/c4*1-2-14-22(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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-12(16,14(19,20)25(21,22)23)13(17,18)24-8-10-6-3-5-9-4-1-2-7-11(9)10;14-12(15,13(16,17)22(18,19)20)21-8-10-6-3-5-9-4-1-2-7-11(9)10;13-11(14,12(15,16)21(17,18)19)20-10-6-5-8-3-1-2-4-9(8)7-10;11-8(12,10(15,16)21(17,18)19)9(13,14)20-6-7-4-2-1-3-5-7;10-8(11,9(12,13)18(14,15)16)17-6-7-4-2-1-3-5-7/h4*1-19H;1-15H;1-7H,8H2,(H,21,22,23);1-7H,8H2,(H,18,19,20);1-7H,(H,17,18,19);1-5H,6H2,(H,17,18,19);1-5H,6H2,(H,14,15,16)/q5*+1;;;;;/p-5
InChIKeyFSINZKGUSCVRAS-UHFFFAOYSA-I
MW3389.62 g/mol
LogP47.40
Rot. Bonds41

About tetrakis(dinaphthalen-1-yl(phenyl)sulfanium);1,1,2,2,3,3-hexafluoro-3-(naphthalen-1-ylmethoxy)propane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-phenylmethoxypropane-1-sulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-1-ylmethoxy)ethanesulfonate;1,1,2,2-tetrafluoro-2-naphthalen-2-yloxyethanesulfonate;1,1,2,2-tetrafluoro-2-phenylmethoxyethanesulfonate;triphenylsulfanium

tetrakis(dinaphthalen-1-yl(phenyl)sulfanium);1,1,2,2,3,3-hexafluoro-3-(naphthalen-1-ylmethoxy)propane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-phenylmethoxypropane-1-sulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-1-ylmethoxy)ethanesulfonate;1,1,2,2-tetrafluoro-2-naphthalen-2-yloxyethanesulfonate;1,1,2,2-tetrafluoro-2-phenylmethoxyethanesulfonate;triphenylsulfanium (PubChem CID 158127298) has the molecular formula C180H130F24O20S10 and a molecular weight of 3389.62 g/mol. Its IUPAC name is tetrakis(dinaphthalen-1-yl(phenyl)sulfanium);1,1,2,2,3,3-hexafluoro-3-(naphthalen-1-ylmethoxy)propane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-phenylmethoxypropane-1-sulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-1-ylmethoxy)ethanesulfonate;1,1,2,2-tetrafluoro-2-naphthalen-2-yloxyethanesulfonate;1,1,2,2-tetrafluoro-2-phenylmethoxyethanesulfonate;triphenylsulfanium.

Molecular Properties

Compound Nametetrakis(dinaphthalen-1-yl(phenyl)sulfanium);1,1,2,2,3,3-hexafluoro-3-(naphthalen-1-ylmethoxy)propane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-phenylmethoxypropane-1-sulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-1-ylmethoxy)ethanesulfonate;1,1,2,2-tetrafluoro-2-naphthalen-2-yloxyethanesulfonate;1,1,2,2-tetrafluoro-2-phenylmethoxyethanesulfonate;triphenylsulfanium
PubChem CID158127298
Molecular FormulaC180H130F24O20S10
Molecular Weight3389.62 g/mol
Exact Mass3386.60
IUPAC Nametetrakis(dinaphthalen-1-yl(phenyl)sulfanium);1,1,2,2,3,3-hexafluoro-3-(naphthalen-1-ylmethoxy)propane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-phenylmethoxypropane-1-sulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-1-ylmethoxy)ethanesulfonate;1,1,2,2-tetrafluoro-2-naphthalen-2-yloxyethanesulfonate;1,1,2,2-tetrafluoro-2-phenylmethoxyethanesulfonate;triphenylsulfanium
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)OCc1cccc2ccccc12.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)OCc1ccccc1.O=S(=O)([O-])C(F)(F)C(F)(F)OCc1cccc2ccccc12.O=S(=O)([O-])C(F)(F)C(F)(F)OCc1ccccc1.O=S(=O)([O-])C(F)(F)C(F)(F)Oc1ccc2ccccc2c1.c1ccc([S+](c2cccc3ccccc23)c2cccc3ccccc23)cc1.c1ccc([S+](c2cccc3ccccc23)c2cccc3ccccc23)cc1.c1ccc([S+](c2cccc3ccccc23)c2cccc3ccccc23)cc1.c1ccc([S+](c2cccc3ccccc23)c2cccc3ccccc23)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C26H19S.C18H15S.C14H10F6O4S.C13H10F4O4S.C12H8F4O4S.C10H8F6O4S.C9H8F4O4S/c4*1-2-14-22(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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-12(16,14(19,20)25(21,22)23)13(17,18)24-8-10-6-3-5-9-4-1-2-7-11(9)10;14-12(15,13(16,17)22(18,19)20)21-8-10-6-3-5-9-4-1-2-7-11(9)10;13-11(14,12(15,16)21(17,18)19)20-10-6-5-8-3-1-2-4-9(8)7-10;11-8(12,10(15,16)21(17,18)19)9(13,14)20-6-7-4-2-1-3-5-7;10-8(11,9(12,13)18(14,15)16)17-6-7-4-2-1-3-5-7/h4*1-19H;1-15H;1-7H,8H2,(H,21,22,23);1-7H,8H2,(H,18,19,20);1-7H,(H,17,18,19);1-5H,6H2,(H,17,18,19);1-5H,6H2,(H,14,15,16)/q5*+1;;;;;/p-5
InChIKeyFSINZKGUSCVRAS-UHFFFAOYSA-I
XLogP47.40
TPSA332.15 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds41
Heavy Atoms234
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003389.62
LogP ≤ 547.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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1-(7-Phenylmethoxynaphthalen-1-yl)thiolan-1-ium;trifluoromethanesulfonate
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1-(6-Phenylmethoxynaphthalen-1-yl)thiolan-1-ium;trifluoromethanesulfonate
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[9,10-Bis(4-octoxyphenyl)-6-(trifluoromethylperoxysulfanyloxy)anthracen-2-yl] trifluoromethanesulfonate
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1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctane-1-sulfonate;1-(4-phenylmethoxynaphthalen-1-yl)thiolan-1-ium
CID 21954515
1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonate;1-(4-phenylmethoxynaphthalen-1-yl)thiolan-1-ium
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1-[6-(Cyclohexylmethoxy)naphthalen-2-yl]thiolan-1-ium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 23089300
1-(6-Cyclohexyloxynaphthalen-2-yl)thiolan-1-ium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 23089306
1-[1,1,1,3,3,3-Hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
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1-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentamethylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]-2,3,5,6-tetramethylphenyl]sulfonyl-2,3,4,5,6-pentamethylbenzene
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2,2-Dimethylpropyl 2-[2-(2,2-dimethylpropoxysulfonyl)-4-[[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenyl]methyl]phenyl]-5-methylbenzenesulfonate
CID 58027920
1,1,2,2-Tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[5-[4-[4-(4-methoxy-2,3,5-triphenylphenyl)-2,3,6-triphenylphenoxy]phenyl]sulfonyl-2-methylphenyl]ethoxy]ethanesulfonic acid
CID 58983602

Frequently Asked Questions

What is the IUPAC name of tetrakis(dinaphthalen-1-yl(phenyl)sulfanium);1,1,2,2,3,3-hexafluoro-3-(naphthalen-1-ylmethoxy)propane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-phenylmethoxypropane-1-sulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-1-ylmethoxy)ethanesulfonate;1,1,2,2-tetrafluoro-2-naphthalen-2-yloxyethanesulfonate;1,1,2,2-tetrafluoro-2-phenylmethoxyethanesulfonate;triphenylsulfanium?
The IUPAC name of tetrakis(dinaphthalen-1-yl(phenyl)sulfanium);1,1,2,2,3,3-hexafluoro-3-(naphthalen-1-ylmethoxy)propane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-phenylmethoxypropane-1-sulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-1-ylmethoxy)ethanesulfonate;1,1,2,2-tetrafluoro-2-naphthalen-2-yloxyethanesulfonate;1,1,2,2-tetrafluoro-2-phenylmethoxyethanesulfonate;triphenylsulfanium (CID 158127298) is tetrakis(dinaphthalen-1-yl(phenyl)sulfanium);1,1,2,2,3,3-hexafluoro-3-(naphthalen-1-ylmethoxy)propane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-phenylmethoxypropane-1-sulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-1-ylmethoxy)ethanesulfonate;1,1,2,2-tetrafluoro-2-naphthalen-2-yloxyethanesulfonate;1,1,2,2-tetrafluoro-2-phenylmethoxyethanesulfonate;triphenylsulfanium.
What is the SMILES notation for tetrakis(dinaphthalen-1-yl(phenyl)sulfanium);1,1,2,2,3,3-hexafluoro-3-(naphthalen-1-ylmethoxy)propane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-phenylmethoxypropane-1-sulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-1-ylmethoxy)ethanesulfonate;1,1,2,2-tetrafluoro-2-naphthalen-2-yloxyethanesulfonate;1,1,2,2-tetrafluoro-2-phenylmethoxyethanesulfonate;triphenylsulfanium?
The canonical SMILES for tetrakis(dinaphthalen-1-yl(phenyl)sulfanium);1,1,2,2,3,3-hexafluoro-3-(naphthalen-1-ylmethoxy)propane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-phenylmethoxypropane-1-sulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-1-ylmethoxy)ethanesulfonate;1,1,2,2-tetrafluoro-2-naphthalen-2-yloxyethanesulfonate;1,1,2,2-tetrafluoro-2-phenylmethoxyethanesulfonate;triphenylsulfanium is O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)OCc1cccc2ccccc12.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)OCc1ccccc1.O=S(=O)([O-])C(F)(F)C(F)(F)OCc1cccc2ccccc12.O=S(=O)([O-])C(F)(F)C(F)(F)OCc1ccccc1.O=S(=O)([O-])C(F)(F)C(F)(F)Oc1ccc2ccccc2c1.c1ccc([S+](c2cccc3ccccc23)c2cccc3ccccc23)cc1.c1ccc([S+](c2cccc3ccccc23)c2cccc3ccccc23)cc1.c1ccc([S+](c2cccc3ccccc23)c2cccc3ccccc23)cc1.c1ccc([S+](c2cccc3ccccc23)c2cccc3ccccc23)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of tetrakis(dinaphthalen-1-yl(phenyl)sulfanium);1,1,2,2,3,3-hexafluoro-3-(naphthalen-1-ylmethoxy)propane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-phenylmethoxypropane-1-sulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-1-ylmethoxy)ethanesulfonate;1,1,2,2-tetrafluoro-2-naphthalen-2-yloxyethanesulfonate;1,1,2,2-tetrafluoro-2-phenylmethoxyethanesulfonate;triphenylsulfanium?
The InChIKey is FSINZKGUSCVRAS-UHFFFAOYSA-I. The full InChI is InChI=1S/4C26H19S.C18H15S.C14H10F6O4S.C13H10F4O4S.C12H8F4O4S.C10H8F6O4S.C9H8F4O4S/c4*1-2-14-22(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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-12(16,14(19,20)25(21,22)23)13(17,18)24-8-10-6-3-5-9-4-1-2-7-11(9)10;14-12(15,13(16,17)22(18,19)20)21-8-10-6-3-5-9-4-1-2-7-11(9)10;13-11(14,12(15,16)21(17,18)19)20-10-6-5-8-3-1-2-4-9(8)7-10;11-8(12,10(15,16)21(17,18)19)9(13,14)20-6-7-4-2-1-3-5-7;10-8(11,9(12,13)18(14,15)16)17-6-7-4-2-1-3-5-7/h4*1-19H;1-15H;1-7H,8H2,(H,21,22,23);1-7H,8H2,(H,18,19,20);1-7H,(H,17,18,19);1-5H,6H2,(H,17,18,19);1-5H,6H2,(H,14,15,16)/q5*+1;;;;;/p-5.
What are the key properties of tetrakis(dinaphthalen-1-yl(phenyl)sulfanium);1,1,2,2,3,3-hexafluoro-3-(naphthalen-1-ylmethoxy)propane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-phenylmethoxypropane-1-sulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-1-ylmethoxy)ethanesulfonate;1,1,2,2-tetrafluoro-2-naphthalen-2-yloxyethanesulfonate;1,1,2,2-tetrafluoro-2-phenylmethoxyethanesulfonate;triphenylsulfanium?
tetrakis(dinaphthalen-1-yl(phenyl)sulfanium);1,1,2,2,3,3-hexafluoro-3-(naphthalen-1-ylmethoxy)propane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-phenylmethoxypropane-1-sulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-1-ylmethoxy)ethanesulfonate;1,1,2,2-tetrafluoro-2-naphthalen-2-yloxyethanesulfonate;1,1,2,2-tetrafluoro-2-phenylmethoxyethanesulfonate;triphenylsulfanium has a molecular weight of 3389.62 g/mol, XLogP of 47.40, 41 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(dinaphthalen-1-yl(phenyl)sulfanium);1,1,2,2,3,3-hexafluoro-3-(naphthalen-1-ylmethoxy)propane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-phenylmethoxypropane-1-sulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-1-ylmethoxy)ethanesulfonate;1,1,2,2-tetrafluoro-2-naphthalen-2-yloxyethanesulfonate;1,1,2,2-tetrafluoro-2-phenylmethoxyethanesulfonate;triphenylsulfanium is sourced from PubChem (CID 158127298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).