bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium)

C135H165F6O5S4+3 — CID 159577045

IUPACbis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium)
SMILESCC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.COc1ccc([S+](c2ccc(C)cc2)c2ccc(OC)cc2)cc1.Cc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Cc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H38F6O3S.2C25H38.C21H21O2S.2C18H15S/c1-26(29,30)27(31,32)28(33,34)38(35,36)37-25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21;2*1-19-24(21-13-7-3-8-14-21)17-23(20-11-5-2-6-12-20)18-25(19)22-15-9-4-10-16-22;1-16-4-10-19(11-5-16)24(20-12-6-17(22-2)7-13-20)21-14-8-18(23-3)9-15-21;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h17-21H,2-16H2,1H3;2*17-18,20-22H,2-16H2,1H3;4-15H,1-3H3;2*1-15H/q;;;3*+1
InChIKeyMINQTAIAFPNHCL-UHFFFAOYSA-N
MW2110.06 g/mol
LogP40.37
Rot. Bonds25

About bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium)

bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium) (PubChem CID 159577045) has the molecular formula C135H165F6O5S4+3 and a molecular weight of 2110.06 g/mol. Its IUPAC name is bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium).

Molecular Properties

Compound Namebis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium)
PubChem CID159577045
Molecular FormulaC135H165F6O5S4+3
Molecular Weight2110.06 g/mol
Exact Mass2108.14
IUPAC Namebis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium)
SMILESCC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.COc1ccc([S+](c2ccc(C)cc2)c2ccc(OC)cc2)cc1.Cc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Cc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H38F6O3S.2C25H38.C21H21O2S.2C18H15S/c1-26(29,30)27(31,32)28(33,34)38(35,36)37-25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21;2*1-19-24(21-13-7-3-8-14-21)17-23(20-11-5-2-6-12-20)18-25(19)22-15-9-4-10-16-22;1-16-4-10-19(11-5-16)24(20-12-6-17(22-2)7-13-20)21-14-8-18(23-3)9-15-21;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h17-21H,2-16H2,1H3;2*17-18,20-22H,2-16H2,1H3;4-15H,1-3H3;2*1-15H/q;;;3*+1
InChIKeyMINQTAIAFPNHCL-UHFFFAOYSA-N
XLogP40.37
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds25
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002110.06
LogP ≤ 540.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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_1', 'substructure': 'N/A'}

Analyze bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium) with MolForge

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Related Compounds

1,2-Difluoro-4-(4-methoxy-3-methylpheny)-5-[4-(methylsulfonyl)phenyl]benzene
CID 10739009
1,2-Difluoro-3-(4-methoxy-3-methylphenyl)-4-(4-methylsulfonylphenyl)benzene
CID 44394204
2-[(E,3R)-4,4-bis(benzenesulfonyl)-4-fluoro-3-(6-methoxynaphthalen-2-yl)but-1-enyl]-6-methoxynaphthalene
CID 135055880
N-[[(4-methoxy-2,6-dimethyl-3-propan-2-ylphenyl)-phenylsulfanylmethylidene]-lambda4-sulfanylidene]-4-methylbenzenesulfonamide
CID 3632902
2-(4-Methylcyclohexa-1,4-dien-1-yl)sulfanyl-10,11-bis[(4-methylphenyl)sulfanyl]-3,6,7-tris[[4-(trifluoromethoxy)phenyl]sulfanyl]triphenylene
CID 20661291
[4-[4-Bis(4-methylphenyl)sulfoniophenoxy]phenyl]-bis(4-methylphenyl)sulfanium;bis(trifluoromethanesulfonate)
CID 21863624
[4-[4-Bis(4-tert-butylphenyl)sulfoniophenoxy]phenyl]-bis(4-tert-butylphenyl)sulfanium;bis(trifluoromethanesulfonate)
CID 21863642
[4-[4-Bis(4-tert-butylphenyl)sulfoniophenoxy]phenyl]-bis(4-tert-butylphenyl)sulfanium;bis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate)
CID 21863671
[2,6-Dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;2,3,4,5,6-pentakis(trifluoromethyl)benzenesulfonate
CID 22057425
(4-Methoxy-3,5-dimethylphenyl)-diphenylsulfanium;4-(trifluoromethyl)benzenesulfonate
CID 23133023
5-[4,5-Difluoro-2-(4-methylsulfonylphenyl)phenyl]-2-methoxy-1,3-dimethylbenzene
CID 23451103
1-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 23557757

Frequently Asked Questions

What is the IUPAC name of bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium)?
The IUPAC name of bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium) (CID 159577045) is bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium).
What is the SMILES notation for bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium)?
The canonical SMILES for bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium) is CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.COc1ccc([S+](c2ccc(C)cc2)c2ccc(OC)cc2)cc1.Cc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Cc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium)?
The InChIKey is MINQTAIAFPNHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38F6O3S.2C25H38.C21H21O2S.2C18H15S/c1-26(29,30)27(31,32)28(33,34)38(35,36)37-25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21;2*1-19-24(21-13-7-3-8-14-21)17-23(20-11-5-2-6-12-20)18-25(19)22-15-9-4-10-16-22;1-16-4-10-19(11-5-16)24(20-12-6-17(22-2)7-13-20)21-14-8-18(23-3)9-15-21;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h17-21H,2-16H2,1H3;2*17-18,20-22H,2-16H2,1H3;4-15H,1-3H3;2*1-15H/q;;;3*+1.
What are the key properties of bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium)?
bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium) has a molecular weight of 2110.06 g/mol, XLogP of 40.37, 25 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium) is sourced from PubChem (CID 159577045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).