hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(4-methyl-1-pentylpyridin-1-ium)

C132H216F6N12O18P6 — CID 173063522

IUPAChexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(4-methyl-1-pentylpyridin-1-ium)
SMILESCCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)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/12C11H18N.6FH2O3P/c12*1-3-4-5-8-12-9-6-11(2)7-10-12;6*1-5(2,3)4/h12*6-7,9-10H,3-5,8H2,1-2H3;6*(H2,2,3,4)/q12*+1;;;;;;/p-12
InChIKeyIKJSMDWJBMEJFD-UHFFFAOYSA-B
MW2559.08 g/mol
LogP22.38
Rot. Bonds48

About hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(4-methyl-1-pentylpyridin-1-ium)

hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(4-methyl-1-pentylpyridin-1-ium) (PubChem CID 173063522) has the molecular formula C132H216F6N12O18P6 and a molecular weight of 2559.08 g/mol. Its IUPAC name is hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(4-methyl-1-pentylpyridin-1-ium).

Molecular Properties

Compound Namehexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(4-methyl-1-pentylpyridin-1-ium)
PubChem CID173063522
Molecular FormulaC132H216F6N12O18P6
Molecular Weight2559.08 g/mol
Exact Mass2557.47
IUPAC Namehexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(4-methyl-1-pentylpyridin-1-ium)
SMILESCCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)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/12C11H18N.6FH2O3P/c12*1-3-4-5-8-12-9-6-11(2)7-10-12;6*1-5(2,3)4/h12*6-7,9-10H,3-5,8H2,1-2H3;6*(H2,2,3,4)/q12*+1;;;;;;/p-12
InChIKeyIKJSMDWJBMEJFD-UHFFFAOYSA-B
XLogP22.38
TPSA425.70 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds48
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002559.08
LogP ≤ 522.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

bis(1-butyl-3-methylpyridin-1-ium);fluoro-dioxido-oxo-λ5-phosphane
CID 141205317
4-methyl-1-nonylpyridin-1-ium hexafluorophosphate
CID 158312080
1-dodecyl-4-methylpyridin-1-ium;trifluoromethanesulfonate
CID 171615379
4-methyl-1-[8-(4-methylpyridin-1-ium-1-yl)octyl]pyridin-1-ium
CID 10813744
1-butyl-4-methylpyridin-1-ium;copper;tetrafluoroborate
CID 87482027
1-butyl-4-methylpyridin-1-ium;hydrogen sulfate
CID 67481189
sodium;1-butyl-4-methylpyridin-1-ium;hydride;tetrafluoroborate
CID 173026044
4-methyl-1-[10-(4-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium;tetrahydrobromide
CID 174105717
4-methyl-1-[7-(4-methylpyridin-1-ium-1-yl)heptyl]pyridin-1-ium dibromide
CID 10527247
4-methyl-1-nonylpyridin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
CID 87860640
4-methyl-1-(3-undecylsulfanylpropyl)pyridin-1-ium
CID 132574963
fluoro-dioxido-oxo-λ5-phosphane;bis(3-hexyl-2-methyl-1H-imidazol-3-ium)
CID 157305144

Frequently Asked Questions

What is the IUPAC name of hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(4-methyl-1-pentylpyridin-1-ium)?
The IUPAC name of hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(4-methyl-1-pentylpyridin-1-ium) (CID 173063522) is hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(4-methyl-1-pentylpyridin-1-ium).
What is the SMILES notation for hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(4-methyl-1-pentylpyridin-1-ium)?
The canonical SMILES for hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(4-methyl-1-pentylpyridin-1-ium) is CCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)cc1.CCCCC[n+]1ccc(C)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-methyl-1-pentylpyridin-1-ium)?
The InChIKey is IKJSMDWJBMEJFD-UHFFFAOYSA-B. The full InChI is InChI=1S/12C11H18N.6FH2O3P/c12*1-3-4-5-8-12-9-6-11(2)7-10-12;6*1-5(2,3)4/h12*6-7,9-10H,3-5,8H2,1-2H3;6*(H2,2,3,4)/q12*+1;;;;;;/p-12.
What are the key properties of hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(4-methyl-1-pentylpyridin-1-ium)?
hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(4-methyl-1-pentylpyridin-1-ium) has a molecular weight of 2559.08 g/mol, XLogP of 22.38, 48 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(4-methyl-1-pentylpyridin-1-ium) is sourced from PubChem (CID 173063522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).