tetrakis(bis(trifluoromethylsulfonyl)azanide);decakis(1-butylimidazole);bis(1-butyl-2H-imidazol-2-ide);bis(cobalt(3+))

C92H142Co2F24N28O16S8 — CID 139171503

IUPACtetrakis(bis(trifluoromethylsulfonyl)azanide);decakis(1-butylimidazole);bis(1-butyl-2H-imidazol-2-ide);bis(cobalt(3+))
SMILESCCCCn1[c-]ncc1.CCCCn1[c-]ncc1.CCCCn1ccnc1.CCCCn1ccnc1.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.[Co+3].[Co+3]
InChIInChI=1S/10C7H12N2.2C7H11N2.4C2F6NO4S2.2Co/c12*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;;/h10*4,6-7H,2-3,5H2,1H3;2*4,6H,2-3,5H2,1H3;;;;;;/q;;;;;;;;;;6*-1;2*+3
InChIKeyNYEISESTCWCZCG-UHFFFAOYSA-N
MW2726.68 g/mol
LogP24.03
Rot. Bonds44

About tetrakis(bis(trifluoromethylsulfonyl)azanide);decakis(1-butylimidazole);bis(1-butyl-2H-imidazol-2-ide);bis(cobalt(3+))

tetrakis(bis(trifluoromethylsulfonyl)azanide);decakis(1-butylimidazole);bis(1-butyl-2H-imidazol-2-ide);bis(cobalt(3+)) (PubChem CID 139171503) has the molecular formula C92H142Co2F24N28O16S8 and a molecular weight of 2726.68 g/mol. Its IUPAC name is tetrakis(bis(trifluoromethylsulfonyl)azanide);decakis(1-butylimidazole);bis(1-butyl-2H-imidazol-2-ide);bis(cobalt(3+)).

Molecular Properties

Compound Nametetrakis(bis(trifluoromethylsulfonyl)azanide);decakis(1-butylimidazole);bis(1-butyl-2H-imidazol-2-ide);bis(cobalt(3+))
PubChem CID139171503
Molecular FormulaC92H142Co2F24N28O16S8
Molecular Weight2726.68 g/mol
Exact Mass2724.72
IUPAC Nametetrakis(bis(trifluoromethylsulfonyl)azanide);decakis(1-butylimidazole);bis(1-butyl-2H-imidazol-2-ide);bis(cobalt(3+))
SMILESCCCCn1[c-]ncc1.CCCCn1[c-]ncc1.CCCCn1ccnc1.CCCCn1ccnc1.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.[Co+3].[Co+3]
InChIInChI=1S/10C7H12N2.2C7H11N2.4C2F6NO4S2.2Co/c12*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;;/h10*4,6-7H,2-3,5H2,1H3;2*4,6H,2-3,5H2,1H3;;;;;;/q;;;;;;;;;;6*-1;2*+3
InChIKeyNYEISESTCWCZCG-UHFFFAOYSA-N
XLogP24.03
TPSA543.36 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds44
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002726.68
LogP ≤ 524.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze tetrakis(bis(trifluoromethylsulfonyl)azanide);decakis(1-butylimidazole);bis(1-butyl-2H-imidazol-2-ide);bis(cobalt(3+)) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tetrakis(bis(trifluoromethylsulfonyl)azanide);decakis(1-butylimidazole);bis(1-butyl-2H-imidazol-2-ide);bis(cobalt(3+))?
The IUPAC name of tetrakis(bis(trifluoromethylsulfonyl)azanide);decakis(1-butylimidazole);bis(1-butyl-2H-imidazol-2-ide);bis(cobalt(3+)) (CID 139171503) is tetrakis(bis(trifluoromethylsulfonyl)azanide);decakis(1-butylimidazole);bis(1-butyl-2H-imidazol-2-ide);bis(cobalt(3+)).
What is the SMILES notation for tetrakis(bis(trifluoromethylsulfonyl)azanide);decakis(1-butylimidazole);bis(1-butyl-2H-imidazol-2-ide);bis(cobalt(3+))?
The canonical SMILES for tetrakis(bis(trifluoromethylsulfonyl)azanide);decakis(1-butylimidazole);bis(1-butyl-2H-imidazol-2-ide);bis(cobalt(3+)) is CCCCn1[c-]ncc1.CCCCn1[c-]ncc1.CCCCn1ccnc1.CCCCn1ccnc1.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.[Co+3].[Co+3].
What is the InChIKey of tetrakis(bis(trifluoromethylsulfonyl)azanide);decakis(1-butylimidazole);bis(1-butyl-2H-imidazol-2-ide);bis(cobalt(3+))?
The InChIKey is NYEISESTCWCZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/10C7H12N2.2C7H11N2.4C2F6NO4S2.2Co/c12*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;;/h10*4,6-7H,2-3,5H2,1H3;2*4,6H,2-3,5H2,1H3;;;;;;/q;;;;;;;;;;6*-1;2*+3.
What are the key properties of tetrakis(bis(trifluoromethylsulfonyl)azanide);decakis(1-butylimidazole);bis(1-butyl-2H-imidazol-2-ide);bis(cobalt(3+))?
tetrakis(bis(trifluoromethylsulfonyl)azanide);decakis(1-butylimidazole);bis(1-butyl-2H-imidazol-2-ide);bis(cobalt(3+)) has a molecular weight of 2726.68 g/mol, XLogP of 24.03, 44 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(bis(trifluoromethylsulfonyl)azanide);decakis(1-butylimidazole);bis(1-butyl-2H-imidazol-2-ide);bis(cobalt(3+)) is sourced from PubChem (CID 139171503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).