hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((4-methoxyphenyl)-diphenylsulfanium)

C228H204F6O30P6S12 — CID 173331709

IUPAChexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((4-methoxyphenyl)-diphenylsulfanium)
SMILESCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F
InChIInChI=1S/12C19H17OS.6FH2O3P/c12*1-20-16-12-14-19(15-13-16)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18;6*1-5(2,3)4/h12*2-15H,1H3;6*(H2,2,3,4)/q12*+1;;;;;;/p-12
InChIKeyLBDICKIKSRIWSN-UHFFFAOYSA-B
MW4108.75 g/mol
LogP50.19
Rot. Bonds48

About hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((4-methoxyphenyl)-diphenylsulfanium)

hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((4-methoxyphenyl)-diphenylsulfanium) (PubChem CID 173331709) has the molecular formula C228H204F6O30P6S12 and a molecular weight of 4108.75 g/mol. Its IUPAC name is hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((4-methoxyphenyl)-diphenylsulfanium).

Molecular Properties

Compound Namehexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((4-methoxyphenyl)-diphenylsulfanium)
PubChem CID173331709
Molecular FormulaC228H204F6O30P6S12
Molecular Weight4108.75 g/mol
Exact Mass4104.94
IUPAC Namehexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((4-methoxyphenyl)-diphenylsulfanium)
SMILESCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F
InChIInChI=1S/12C19H17OS.6FH2O3P/c12*1-20-16-12-14-19(15-13-16)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18;6*1-5(2,3)4/h12*2-15H,1H3;6*(H2,2,3,4)/q12*+1;;;;;;/p-12
InChIKeyLBDICKIKSRIWSN-UHFFFAOYSA-B
XLogP50.19
TPSA489.90 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds48
Heavy Atoms282
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004108.75
LogP ≤ 550.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

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Related Compounds

bis(4-methoxyphenyl)-phenylsulfanium;2,2,2-trifluoroacetate
CID 172778932
methane;(4-methoxyphenyl)-diphenylsulfanium;trifluoromethanesulfonate;bis(triphenylsulfanium)
CID 159553561
bis(4-methylphenyl)-phenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;tetrakis(trifluoromethanesulfonate);tris(4-methylphenyl)sulfanium
CID 159993942
tris(triphenylsulfanium);phosphate
CID 160987641
(4-methoxyphenyl)-diphenylsulfanium;trifluoromethyl benzenesulfonate
CID 158808979
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;(4-methoxyphenyl)-diphenylsulfanium
CID 22023849
hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((2-methylphenyl)-diphenylsulfanium)
CID 173312038
sulfanium;bis(2-(trifluoromethyl)benzenesulfonate);tris(4-methoxyphenyl)sulfanium
CID 157351843
bis(4-methoxyphenyl)-phenylsulfanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 23132943
[4-[1,1-dimethoxy-2-(4-methoxyphenyl)-2-oxoethyl]phenyl]-diphenylsulfanium
CID 153448773
disodium;anisole;sulfite
CID 158776652
(4-methoxyphenyl)-dioxido-oxo-λ5-phosphane
CID 7004098

Frequently Asked Questions

What is the IUPAC name of hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((4-methoxyphenyl)-diphenylsulfanium)?
The IUPAC name of hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((4-methoxyphenyl)-diphenylsulfanium) (CID 173331709) is hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((4-methoxyphenyl)-diphenylsulfanium).
What is the SMILES notation for hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((4-methoxyphenyl)-diphenylsulfanium)?
The canonical SMILES for hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((4-methoxyphenyl)-diphenylsulfanium) is COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.
What is the InChIKey of hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((4-methoxyphenyl)-diphenylsulfanium)?
The InChIKey is LBDICKIKSRIWSN-UHFFFAOYSA-B. The full InChI is InChI=1S/12C19H17OS.6FH2O3P/c12*1-20-16-12-14-19(15-13-16)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18;6*1-5(2,3)4/h12*2-15H,1H3;6*(H2,2,3,4)/q12*+1;;;;;;/p-12.
What are the key properties of hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((4-methoxyphenyl)-diphenylsulfanium)?
hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((4-methoxyphenyl)-diphenylsulfanium) has a molecular weight of 4108.75 g/mol, XLogP of 50.19, 48 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis((4-methoxyphenyl)-diphenylsulfanium) is sourced from PubChem (CID 173331709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).