dicopper;tetrakis(bis(trifluoromethylsulfonyl)azanide);octakis(1-butylimidazole)

C64H96Cu2F24N20O16S8 — CID 139196516

IUPACdicopper;tetrakis(bis(trifluoromethylsulfonyl)azanide);octakis(1-butylimidazole)
SMILESCCCCn1ccnc1.CCCCn1ccnc1.CCCCn1ccnc1.CCCCn1ccnc1.CCCCn1ccnc1.CCCCn1ccnc1.CCCCn1ccnc1.CCCCn1ccnc1.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/8C7H12N2.4C2F6NO4S2.2Cu/c8*1-2-3-5-9-6-4-8-7-9;4*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;;/h8*4,6-7H,2-3,5H2,1H3;;;;;;/q;;;;;;;;4*-1;2*+2
InChIKeySCUGBVQBIXKCIC-UHFFFAOYSA-N
MW2241.18 g/mol
LogP17.70
Rot. Bonds32

About dicopper;tetrakis(bis(trifluoromethylsulfonyl)azanide);octakis(1-butylimidazole)

dicopper;tetrakis(bis(trifluoromethylsulfonyl)azanide);octakis(1-butylimidazole) (PubChem CID 139196516) has the molecular formula C64H96Cu2F24N20O16S8 and a molecular weight of 2241.18 g/mol. Its IUPAC name is dicopper;tetrakis(bis(trifluoromethylsulfonyl)azanide);octakis(1-butylimidazole).

Molecular Properties

Compound Namedicopper;tetrakis(bis(trifluoromethylsulfonyl)azanide);octakis(1-butylimidazole)
PubChem CID139196516
Molecular FormulaC64H96Cu2F24N20O16S8
Molecular Weight2241.18 g/mol
Exact Mass2238.33
IUPAC Namedicopper;tetrakis(bis(trifluoromethylsulfonyl)azanide);octakis(1-butylimidazole)
SMILESCCCCn1ccnc1.CCCCn1ccnc1.CCCCn1ccnc1.CCCCn1ccnc1.CCCCn1ccnc1.CCCCn1ccnc1.CCCCn1ccnc1.CCCCn1ccnc1.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/8C7H12N2.4C2F6NO4S2.2Cu/c8*1-2-3-5-9-6-4-8-7-9;4*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;;/h8*4,6-7H,2-3,5H2,1H3;;;;;;/q;;;;;;;;4*-1;2*+2
InChIKeySCUGBVQBIXKCIC-UHFFFAOYSA-N
XLogP17.70
TPSA472.08 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds32
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002241.18
LogP ≤ 517.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

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Frequently Asked Questions

What is the IUPAC name of dicopper;tetrakis(bis(trifluoromethylsulfonyl)azanide);octakis(1-butylimidazole)?
The IUPAC name of dicopper;tetrakis(bis(trifluoromethylsulfonyl)azanide);octakis(1-butylimidazole) (CID 139196516) is dicopper;tetrakis(bis(trifluoromethylsulfonyl)azanide);octakis(1-butylimidazole).
What is the SMILES notation for dicopper;tetrakis(bis(trifluoromethylsulfonyl)azanide);octakis(1-butylimidazole)?
The canonical SMILES for dicopper;tetrakis(bis(trifluoromethylsulfonyl)azanide);octakis(1-butylimidazole) is CCCCn1ccnc1.CCCCn1ccnc1.CCCCn1ccnc1.CCCCn1ccnc1.CCCCn1ccnc1.CCCCn1ccnc1.CCCCn1ccnc1.CCCCn1ccnc1.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);octakis(1-butylimidazole)?
The InChIKey is SCUGBVQBIXKCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/8C7H12N2.4C2F6NO4S2.2Cu/c8*1-2-3-5-9-6-4-8-7-9;4*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;;/h8*4,6-7H,2-3,5H2,1H3;;;;;;/q;;;;;;;;4*-1;2*+2.
What are the key properties of dicopper;tetrakis(bis(trifluoromethylsulfonyl)azanide);octakis(1-butylimidazole)?
dicopper;tetrakis(bis(trifluoromethylsulfonyl)azanide);octakis(1-butylimidazole) has a molecular weight of 2241.18 g/mol, XLogP of 17.70, 32 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;tetrakis(bis(trifluoromethylsulfonyl)azanide);octakis(1-butylimidazole) is sourced from PubChem (CID 139196516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).