(2,4-dicyclohexyl-6-cyclohexylphenyl) difluoro(trifluoromethylsulfonylsulfamoyl)methanesulfonate;bis(2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonic acid);triphenylsulfanium;tris(3-methoxyphenyl)sulfanium

C125H143F13NO18S7+ — CID 157360986

IUPAC(2,4-dicyclohexyl-6-cyclohexylphenyl) difluoro(trifluoromethylsulfonylsulfamoyl)methanesulfonate;bis(2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonic acid);triphenylsulfanium;tris(3-methoxyphenyl)sulfanium
SMILESCOc1cccc([S+](c2cccc(OC)c2)c2cccc(OC)c2)c1.O=S(=O)(NS(=O)(=O)C(F)(F)S(=O)(=O)Oc1c(C2CC[CH-]CC2)cc(C2CCCCC2)cc1C1CCCCC1)C(F)(F)F.O=S(=O)(O)c1c(F)c(F)c(Oc2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1F.O=S(=O)(O)c1c(F)c(F)c(Oc2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C30H36F4O4S.C26H35F5NO7S3.C21H21O3S.C18H15S/c2*31-24-26(33)30(39(35,36)37)27(34)25(32)29(24)38-28-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(28)20-14-8-3-9-15-20;27-25(28,29)40(33,34)32-41(35,36)26(30,31)42(37,38)39-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;1-22-16-7-4-10-19(13-16)25(20-11-5-8-17(14-20)23-2)21-12-6-9-18(15-21)24-3;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h2*16-20H,1-15H2,(H,35,36,37);2,16-20,32H,1,3-15H2;4-15H,1-3H3;1-15H/q;;-1;2*+1
InChIKeyBIQDTYFCLDRNTG-UHFFFAOYSA-N
MW2418.95 g/mol
LogP35.11
Rot. Bonds30

About (2,4-dicyclohexyl-6-cyclohexylphenyl) difluoro(trifluoromethylsulfonylsulfamoyl)methanesulfonate;bis(2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonic acid);triphenylsulfanium;tris(3-methoxyphenyl)sulfanium

(2,4-dicyclohexyl-6-cyclohexylphenyl) difluoro(trifluoromethylsulfonylsulfamoyl)methanesulfonate;bis(2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonic acid);triphenylsulfanium;tris(3-methoxyphenyl)sulfanium (PubChem CID 157360986) has the molecular formula C125H143F13NO18S7+ and a molecular weight of 2418.95 g/mol. Its IUPAC name is (2,4-dicyclohexyl-6-cyclohexylphenyl) difluoro(trifluoromethylsulfonylsulfamoyl)methanesulfonate;bis(2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonic acid);triphenylsulfanium;tris(3-methoxyphenyl)sulfanium.

Molecular Properties

Compound Name(2,4-dicyclohexyl-6-cyclohexylphenyl) difluoro(trifluoromethylsulfonylsulfamoyl)methanesulfonate;bis(2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonic acid);triphenylsulfanium;tris(3-methoxyphenyl)sulfanium
PubChem CID157360986
Molecular FormulaC125H143F13NO18S7+
Molecular Weight2418.95 g/mol
Exact Mass2416.81
IUPAC Name(2,4-dicyclohexyl-6-cyclohexylphenyl) difluoro(trifluoromethylsulfonylsulfamoyl)methanesulfonate;bis(2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonic acid);triphenylsulfanium;tris(3-methoxyphenyl)sulfanium
SMILESCOc1cccc([S+](c2cccc(OC)c2)c2cccc(OC)c2)c1.O=S(=O)(NS(=O)(=O)C(F)(F)S(=O)(=O)Oc1c(C2CC[CH-]CC2)cc(C2CCCCC2)cc1C1CCCCC1)C(F)(F)F.O=S(=O)(O)c1c(F)c(F)c(Oc2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1F.O=S(=O)(O)c1c(F)c(F)c(Oc2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C30H36F4O4S.C26H35F5NO7S3.C21H21O3S.C18H15S/c2*31-24-26(33)30(39(35,36)37)27(34)25(32)29(24)38-28-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(28)20-14-8-3-9-15-20;27-25(28,29)40(33,34)32-41(35,36)26(30,31)42(37,38)39-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;1-22-16-7-4-10-19(13-16)25(20-11-5-8-17(14-20)23-2)21-12-6-9-18(15-21)24-3;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h2*16-20H,1-15H2,(H,35,36,37);2,16-20,32H,1,3-15H2;4-15H,1-3H3;1-15H/q;;-1;2*+1
InChIKeyBIQDTYFCLDRNTG-UHFFFAOYSA-N
XLogP35.11
TPSA278.57 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds30
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002418.95
LogP ≤ 535.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-3-sulfophenyl]sulfonyl-2-(trioxidanylsulfanyl)phenoxy]phenyl]phenoxy]-5-[4-methyl-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid
CID 57616584
1-[4-[4-[4-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 57616659
1-Methyl-4-[4-[4-[4-[4-[4-[4-[1,1,3,3-tetrafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylbenzene
CID 57616677
1,2,4,5-Tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenoxy]phenyl]sulfonylphenoxy]benzene
CID 57684152
2-(4-Methoxyphenoxy)-5-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]-3-(trioxidanylsulfanyl)phenyl]sulfonylbenzenesulfonic acid
CID 57684154
5-[3-Buta-1,3-diynylsulfanyl-4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfonoperoxoic acid
CID 57736037
Potassium 5-[2-(4-ethynylphenyl)-4-methylphenoxy]-2-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]benzenesulfonate
CID 57866682
5-[2-(4-Ethynylphenyl)-4-methylphenoxy]-2-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]benzenesulfonic acid
CID 57866683
5-(3-Ethynyl-5-methylphenoxy)-2-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]benzenesulfonic acid
CID 57866727
1-[4-[4-[2-[4-[4-(4-Benzylphenyl)sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 57903589
5-[[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid
CID 57903607
1-[4-[4-[2-[4-[4-(4-Ethylphenyl)sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 57925324

Frequently Asked Questions

What is the IUPAC name of (2,4-dicyclohexyl-6-cyclohexylphenyl) difluoro(trifluoromethylsulfonylsulfamoyl)methanesulfonate;bis(2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonic acid);triphenylsulfanium;tris(3-methoxyphenyl)sulfanium?
The IUPAC name of (2,4-dicyclohexyl-6-cyclohexylphenyl) difluoro(trifluoromethylsulfonylsulfamoyl)methanesulfonate;bis(2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonic acid);triphenylsulfanium;tris(3-methoxyphenyl)sulfanium (CID 157360986) is (2,4-dicyclohexyl-6-cyclohexylphenyl) difluoro(trifluoromethylsulfonylsulfamoyl)methanesulfonate;bis(2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonic acid);triphenylsulfanium;tris(3-methoxyphenyl)sulfanium.
What is the SMILES notation for (2,4-dicyclohexyl-6-cyclohexylphenyl) difluoro(trifluoromethylsulfonylsulfamoyl)methanesulfonate;bis(2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonic acid);triphenylsulfanium;tris(3-methoxyphenyl)sulfanium?
The canonical SMILES for (2,4-dicyclohexyl-6-cyclohexylphenyl) difluoro(trifluoromethylsulfonylsulfamoyl)methanesulfonate;bis(2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonic acid);triphenylsulfanium;tris(3-methoxyphenyl)sulfanium is COc1cccc([S+](c2cccc(OC)c2)c2cccc(OC)c2)c1.O=S(=O)(NS(=O)(=O)C(F)(F)S(=O)(=O)Oc1c(C2CC[CH-]CC2)cc(C2CCCCC2)cc1C1CCCCC1)C(F)(F)F.O=S(=O)(O)c1c(F)c(F)c(Oc2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1F.O=S(=O)(O)c1c(F)c(F)c(Oc2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2,4-dicyclohexyl-6-cyclohexylphenyl) difluoro(trifluoromethylsulfonylsulfamoyl)methanesulfonate;bis(2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonic acid);triphenylsulfanium;tris(3-methoxyphenyl)sulfanium?
The InChIKey is BIQDTYFCLDRNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H36F4O4S.C26H35F5NO7S3.C21H21O3S.C18H15S/c2*31-24-26(33)30(39(35,36)37)27(34)25(32)29(24)38-28-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(28)20-14-8-3-9-15-20;27-25(28,29)40(33,34)32-41(35,36)26(30,31)42(37,38)39-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;1-22-16-7-4-10-19(13-16)25(20-11-5-8-17(14-20)23-2)21-12-6-9-18(15-21)24-3;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h2*16-20H,1-15H2,(H,35,36,37);2,16-20,32H,1,3-15H2;4-15H,1-3H3;1-15H/q;;-1;2*+1.
What are the key properties of (2,4-dicyclohexyl-6-cyclohexylphenyl) difluoro(trifluoromethylsulfonylsulfamoyl)methanesulfonate;bis(2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonic acid);triphenylsulfanium;tris(3-methoxyphenyl)sulfanium?
(2,4-dicyclohexyl-6-cyclohexylphenyl) difluoro(trifluoromethylsulfonylsulfamoyl)methanesulfonate;bis(2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonic acid);triphenylsulfanium;tris(3-methoxyphenyl)sulfanium has a molecular weight of 2418.95 g/mol, XLogP of 35.11, 30 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dicyclohexyl-6-cyclohexylphenyl) difluoro(trifluoromethylsulfonylsulfamoyl)methanesulfonate;bis(2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonic acid);triphenylsulfanium;tris(3-methoxyphenyl)sulfanium is sourced from PubChem (CID 157360986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).