dodecakis(cerium(3+));(trifluoromethanesulfonate)

C35Ce12F105O105S35+ — CID 173221749

IUPACdodecakis(cerium(3+));(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ce+3].[Ce+3].[Ce+3].[Ce+3].[Ce+3].[Ce+3].[Ce+3].[Ce+3].[Ce+3].[Ce+3].[Ce+3].[Ce+3]
InChIInChI=1S/35CHF3O3S.12Ce/c35*2-1(3,4)8(5,6)7;;;;;;;;;;;;/h35*(H,5,6,7);;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;12*+3/p-35
InChIKeyKZMWJPPDYZRRDU-UHFFFAOYSA-A
MW6898.81 g/mol
LogP1.80
Rot. Bonds

About dodecakis(cerium(3+));(trifluoromethanesulfonate)

dodecakis(cerium(3+));(trifluoromethanesulfonate) (PubChem CID 173221749) has the molecular formula C35Ce12F105O105S35+ and a molecular weight of 6898.81 g/mol. Its IUPAC name is dodecakis(cerium(3+));(trifluoromethanesulfonate).

Molecular Properties

Compound Namedodecakis(cerium(3+));(trifluoromethanesulfonate)
PubChem CID173221749
Molecular FormulaC35Ce12F105O105S35+
Molecular Weight6898.81 g/mol
Exact Mass6892.19
IUPAC Namedodecakis(cerium(3+));(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ce+3].[Ce+3].[Ce+3].[Ce+3].[Ce+3].[Ce+3].[Ce+3].[Ce+3].[Ce+3].[Ce+3].[Ce+3].[Ce+3]
InChIInChI=1S/35CHF3O3S.12Ce/c35*2-1(3,4)8(5,6)7;;;;;;;;;;;;/h35*(H,5,6,7);;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;12*+3/p-35
InChIKeyKZMWJPPDYZRRDU-UHFFFAOYSA-A
XLogP1.80
TPSA2002.00 Ų
H-Bond Donors
H-Bond Acceptors105
Rotatable Bonds
Heavy Atoms292
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5006898.81
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 10105

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Frequently Asked Questions

What is the IUPAC name of dodecakis(cerium(3+));(trifluoromethanesulfonate)?
The IUPAC name of dodecakis(cerium(3+));(trifluoromethanesulfonate) (CID 173221749) is dodecakis(cerium(3+));(trifluoromethanesulfonate).
What is the SMILES notation for dodecakis(cerium(3+));(trifluoromethanesulfonate)?
The canonical SMILES for dodecakis(cerium(3+));(trifluoromethanesulfonate) is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ce+3].[Ce+3].[Ce+3].[Ce+3].[Ce+3].[Ce+3].[Ce+3].[Ce+3].[Ce+3].[Ce+3].[Ce+3].[Ce+3].
What is the InChIKey of dodecakis(cerium(3+));(trifluoromethanesulfonate)?
The InChIKey is KZMWJPPDYZRRDU-UHFFFAOYSA-A. The full InChI is InChI=1S/35CHF3O3S.12Ce/c35*2-1(3,4)8(5,6)7;;;;;;;;;;;;/h35*(H,5,6,7);;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;12*+3/p-35.
What are the key properties of dodecakis(cerium(3+));(trifluoromethanesulfonate)?
dodecakis(cerium(3+));(trifluoromethanesulfonate) has a molecular weight of 6898.81 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 105 hydrogen bond acceptors.
Where does this data come from?
All data for dodecakis(cerium(3+));(trifluoromethanesulfonate) is sourced from PubChem (CID 173221749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).