dicopper;tetrakis(bis(trifluoromethylsulfonyl)azanide);dodecakis(1-methylimidazole)

C56H72Cu2F24N28O16S8 — CID 139196517

IUPACdicopper;tetrakis(bis(trifluoromethylsulfonyl)azanide);dodecakis(1-methylimidazole)
SMILESCn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Cu+2].[Cu+2]
InChIInChI=1S/12C4H6N2.4C2F6NO4S2.2Cu/c12*1-6-3-2-5-4-6;4*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;;/h12*2-4H,1H3;;;;;;/q;;;;;;;;;;;;4*-1;2*+2
InChIKeyXBXBQVJELWEUFF-UHFFFAOYSA-N
MW2232.95 g/mol
LogP9.27
Rot. Bonds8

About dicopper;tetrakis(bis(trifluoromethylsulfonyl)azanide);dodecakis(1-methylimidazole)

dicopper;tetrakis(bis(trifluoromethylsulfonyl)azanide);dodecakis(1-methylimidazole) (PubChem CID 139196517) has the molecular formula C56H72Cu2F24N28O16S8 and a molecular weight of 2232.95 g/mol. Its IUPAC name is dicopper;tetrakis(bis(trifluoromethylsulfonyl)azanide);dodecakis(1-methylimidazole).

Molecular Properties

Compound Namedicopper;tetrakis(bis(trifluoromethylsulfonyl)azanide);dodecakis(1-methylimidazole)
PubChem CID139196517
Molecular FormulaC56H72Cu2F24N28O16S8
Molecular Weight2232.95 g/mol
Exact Mass2230.17
IUPAC Namedicopper;tetrakis(bis(trifluoromethylsulfonyl)azanide);dodecakis(1-methylimidazole)
SMILESCn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Cu+2].[Cu+2]
InChIInChI=1S/12C4H6N2.4C2F6NO4S2.2Cu/c12*1-6-3-2-5-4-6;4*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;;/h12*2-4H,1H3;;;;;;/q;;;;;;;;;;;;4*-1;2*+2
InChIKeyXBXBQVJELWEUFF-UHFFFAOYSA-N
XLogP9.27
TPSA543.36 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds8
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002232.95
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

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Frequently Asked Questions

What is the IUPAC name of dicopper;tetrakis(bis(trifluoromethylsulfonyl)azanide);dodecakis(1-methylimidazole)?
The IUPAC name of dicopper;tetrakis(bis(trifluoromethylsulfonyl)azanide);dodecakis(1-methylimidazole) (CID 139196517) is dicopper;tetrakis(bis(trifluoromethylsulfonyl)azanide);dodecakis(1-methylimidazole).
What is the SMILES notation for dicopper;tetrakis(bis(trifluoromethylsulfonyl)azanide);dodecakis(1-methylimidazole)?
The canonical SMILES for dicopper;tetrakis(bis(trifluoromethylsulfonyl)azanide);dodecakis(1-methylimidazole) is Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Cu+2].[Cu+2].
What is the InChIKey of dicopper;tetrakis(bis(trifluoromethylsulfonyl)azanide);dodecakis(1-methylimidazole)?
The InChIKey is XBXBQVJELWEUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/12C4H6N2.4C2F6NO4S2.2Cu/c12*1-6-3-2-5-4-6;4*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;;/h12*2-4H,1H3;;;;;;/q;;;;;;;;;;;;4*-1;2*+2.
What are the key properties of dicopper;tetrakis(bis(trifluoromethylsulfonyl)azanide);dodecakis(1-methylimidazole)?
dicopper;tetrakis(bis(trifluoromethylsulfonyl)azanide);dodecakis(1-methylimidazole) has a molecular weight of 2232.95 g/mol, XLogP of 9.27, 8 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;tetrakis(bis(trifluoromethylsulfonyl)azanide);dodecakis(1-methylimidazole) is sourced from PubChem (CID 139196517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).