dicopper;hexakis(1,2-dimethylimidazole);bis(hexafluoroantimony(1-));peroxide

C30H48Cu2F12N12O2Sb2 — CID 56649293

IUPACdicopper;hexakis(1,2-dimethylimidazole);bis(hexafluoroantimony(1-));peroxide
SMILESCc1nccn1C.Cc1nccn1C.Cc1nccn1C.Cc1nccn1C.Cc1nccn1C.Cc1nccn1C.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F.[Cu+2].[Cu+2].[O-][O-]
InChIInChI=1S/6C5H8N2.2Cu.12FH.O2.2Sb/c6*1-5-6-3-4-7(5)2;;;;;;;;;;;;;;;1-2;;/h6*3-4H,1-2H3;;;12*1H;;;/q;;;;;;2*+2;;;;;;;;;;;;;-2;2*+5/p-12
InChIKeyNJQSEPWMUUPKEE-UHFFFAOYSA-B
MW1207.38 g/mol
LogP6.27
Rot. Bonds

About dicopper;hexakis(1,2-dimethylimidazole);bis(hexafluoroantimony(1-));peroxide

dicopper;hexakis(1,2-dimethylimidazole);bis(hexafluoroantimony(1-));peroxide (PubChem CID 56649293) has the molecular formula C30H48Cu2F12N12O2Sb2 and a molecular weight of 1207.38 g/mol. Its IUPAC name is dicopper;hexakis(1,2-dimethylimidazole);bis(hexafluoroantimony(1-));peroxide.

Molecular Properties

Compound Namedicopper;hexakis(1,2-dimethylimidazole);bis(hexafluoroantimony(1-));peroxide
PubChem CID56649293
Molecular FormulaC30H48Cu2F12N12O2Sb2
Molecular Weight1207.38 g/mol
Exact Mass1204.05
IUPAC Namedicopper;hexakis(1,2-dimethylimidazole);bis(hexafluoroantimony(1-));peroxide
SMILESCc1nccn1C.Cc1nccn1C.Cc1nccn1C.Cc1nccn1C.Cc1nccn1C.Cc1nccn1C.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F.[Cu+2].[Cu+2].[O-][O-]
InChIInChI=1S/6C5H8N2.2Cu.12FH.O2.2Sb/c6*1-5-6-3-4-7(5)2;;;;;;;;;;;;;;;1-2;;/h6*3-4H,1-2H3;;;12*1H;;;/q;;;;;;2*+2;;;;;;;;;;;;;-2;2*+5/p-12
InChIKeyNJQSEPWMUUPKEE-UHFFFAOYSA-B
XLogP6.27
TPSA153.04 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001207.38
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1,2-dimethylimidazole;trifluoroborane
CID 171040969
CID 88627468
CID 88627468
tris(1,2-dimethylimidazole);trihydroxy(methyl)phosphanium
CID 173068105
1,2-dimethylimidazole;urea
CID 174990589
1,2-dimethylimidazole;piperidine
CID 142002263
1,2-dimethylimidazole;2,5-dimethyl-1,3-thiazole
CID 91557964
1,2-dimethylimidazole;1-hydroxy-4-methylpyridin-1-ium
CID 143854706
1,2-dimethylimidazole;isoindole-1,3-dione
CID 174411656
1-chloro-2-methylimidazole
CID 102183392
1,2-dimethylimidazole;1H-imidazole;sulfurochloridic acid
CID 175045185
1-methyl-2-[4-(1-methylimidazol-2-yl)phenyl]imidazole
CID 1088925
1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]imidazole
CID 114531881

Frequently Asked Questions

What is the IUPAC name of dicopper;hexakis(1,2-dimethylimidazole);bis(hexafluoroantimony(1-));peroxide?
The IUPAC name of dicopper;hexakis(1,2-dimethylimidazole);bis(hexafluoroantimony(1-));peroxide (CID 56649293) is dicopper;hexakis(1,2-dimethylimidazole);bis(hexafluoroantimony(1-));peroxide.
What is the SMILES notation for dicopper;hexakis(1,2-dimethylimidazole);bis(hexafluoroantimony(1-));peroxide?
The canonical SMILES for dicopper;hexakis(1,2-dimethylimidazole);bis(hexafluoroantimony(1-));peroxide is Cc1nccn1C.Cc1nccn1C.Cc1nccn1C.Cc1nccn1C.Cc1nccn1C.Cc1nccn1C.F[Sb-](F)(F)(F)(F)F.F[Sb-](F)(F)(F)(F)F.[Cu+2].[Cu+2].[O-][O-].
What is the InChIKey of dicopper;hexakis(1,2-dimethylimidazole);bis(hexafluoroantimony(1-));peroxide?
The InChIKey is NJQSEPWMUUPKEE-UHFFFAOYSA-B. The full InChI is InChI=1S/6C5H8N2.2Cu.12FH.O2.2Sb/c6*1-5-6-3-4-7(5)2;;;;;;;;;;;;;;;1-2;;/h6*3-4H,1-2H3;;;12*1H;;;/q;;;;;;2*+2;;;;;;;;;;;;;-2;2*+5/p-12.
What are the key properties of dicopper;hexakis(1,2-dimethylimidazole);bis(hexafluoroantimony(1-));peroxide?
dicopper;hexakis(1,2-dimethylimidazole);bis(hexafluoroantimony(1-));peroxide has a molecular weight of 1207.38 g/mol, XLogP of 6.27, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;hexakis(1,2-dimethylimidazole);bis(hexafluoroantimony(1-));peroxide is sourced from PubChem (CID 56649293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).