hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methylpyridin-1-ium)

C72H96F6N12O18P6 — CID 173063507

IUPAChexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methylpyridin-1-ium)
SMILESC[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.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/12C6H8N.6FH2O3P/c12*1-7-5-3-2-4-6-7;6*1-5(2,3)4/h12*2-6H,1H3;6*(H2,2,3,4)/q12*+1;;;;;;/p-12
InChIKeyGWTNHCSFEKIRFB-UHFFFAOYSA-B
MW1717.46 g/mol
LogP-1.16
Rot. Bonds

About hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methylpyridin-1-ium)

hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methylpyridin-1-ium) (PubChem CID 173063507) has the molecular formula C72H96F6N12O18P6 and a molecular weight of 1717.46 g/mol. Its IUPAC name is hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methylpyridin-1-ium).

Molecular Properties

Compound Namehexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methylpyridin-1-ium)
PubChem CID173063507
Molecular FormulaC72H96F6N12O18P6
Molecular Weight1717.46 g/mol
Exact Mass1716.53
IUPAC Namehexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methylpyridin-1-ium)
SMILESC[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.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/12C6H8N.6FH2O3P/c12*1-7-5-3-2-4-6-7;6*1-5(2,3)4/h12*2-6H,1H3;6*(H2,2,3,4)/q12*+1;;;;;;/p-12
InChIKeyGWTNHCSFEKIRFB-UHFFFAOYSA-B
XLogP-1.16
TPSA425.70 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001717.46
LogP ≤ 5-1.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(fluoro(dioxido)borane);octakis(1-methylpyridin-1-ium)
CID 23103331
1-methylpyridin-1-ium;oxozinc;iodide
CID 174764839
ethane;bis(1-methylpyridin-1-ium);acetate
CID 159228977
2-methylpropane;1-methylpyridin-1-ium
CID 161367015
1-methylpyridin-1-ium;sulfuric acid
CID 67146058
1-methylpyridin-1-ium;tetraiodoplumbane;iodide
CID 174902688
bis(1-methylpyridin-1-ium);2,2,2-trifluoroacetate;trifluoromethanesulfonate
CID 139637883
tetracopper;tetrakis(fluoro-dioxido-oxo-λ5-phosphane)
CID 175200090
tris(1-ethylpyridin-1-ium);tris(1-methylpyridin-1-ium)
CID 160797453
lithium;fluoro-dioxido-oxo-λ5-phosphane;iron(2+)
CID 158027187
docosakis(1-butyl-3-methylimidazol-3-ium);undecakis(fluoro-dioxido-oxo-λ5-phosphane)
CID 142702508
1-methylpyridin-1-ium;phenylmethanesulfonate
CID 141072222

Frequently Asked Questions

What is the IUPAC name of hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methylpyridin-1-ium)?
The IUPAC name of hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methylpyridin-1-ium) (CID 173063507) is hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methylpyridin-1-ium).
What is the SMILES notation for hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methylpyridin-1-ium)?
The canonical SMILES for hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methylpyridin-1-ium) is C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.C[n+]1ccccc1.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(1-methylpyridin-1-ium)?
The InChIKey is GWTNHCSFEKIRFB-UHFFFAOYSA-B. The full InChI is InChI=1S/12C6H8N.6FH2O3P/c12*1-7-5-3-2-4-6-7;6*1-5(2,3)4/h12*2-6H,1H3;6*(H2,2,3,4)/q12*+1;;;;;;/p-12.
What are the key properties of hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methylpyridin-1-ium)?
hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methylpyridin-1-ium) has a molecular weight of 1717.46 g/mol, XLogP of -1.16, 0 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(1-methylpyridin-1-ium) is sourced from PubChem (CID 173063507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).