bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);hexakis(1-ethylimidazole)

C34H48CoF12N14O8S4 — CID 139171499

IUPACbis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);hexakis(1-ethylimidazole)
SMILESCCn1ccnc1.CCn1ccnc1.CCn1ccnc1.CCn1ccnc1.CCn1ccnc1.CCn1ccnc1.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+2]
InChIInChI=1S/6C5H8N2.2C2F6NO4S2.Co/c6*1-2-7-4-3-6-5-7;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h6*3-5H,2H2,1H3;;;/q;;;;;;2*-1;+2
InChIKeyLDAGCOZKOOBAAI-UHFFFAOYSA-N
MW1196.02 g/mol
LogP7.53
Rot. Bonds10

About bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);hexakis(1-ethylimidazole)

bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);hexakis(1-ethylimidazole) (PubChem CID 139171499) has the molecular formula C34H48CoF12N14O8S4 and a molecular weight of 1196.02 g/mol. Its IUPAC name is bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);hexakis(1-ethylimidazole).

Molecular Properties

Compound Namebis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);hexakis(1-ethylimidazole)
PubChem CID139171499
Molecular FormulaC34H48CoF12N14O8S4
Molecular Weight1196.02 g/mol
Exact Mass1195.18
IUPAC Namebis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);hexakis(1-ethylimidazole)
SMILESCCn1ccnc1.CCn1ccnc1.CCn1ccnc1.CCn1ccnc1.CCn1ccnc1.CCn1ccnc1.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+2]
InChIInChI=1S/6C5H8N2.2C2F6NO4S2.Co/c6*1-2-7-4-3-6-5-7;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h6*3-5H,2H2,1H3;;;/q;;;;;;2*-1;+2
InChIKeyLDAGCOZKOOBAAI-UHFFFAOYSA-N
XLogP7.53
TPSA271.68 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001196.02
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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Frequently Asked Questions

What is the IUPAC name of bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);hexakis(1-ethylimidazole)?
The IUPAC name of bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);hexakis(1-ethylimidazole) (CID 139171499) is bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);hexakis(1-ethylimidazole).
What is the SMILES notation for bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);hexakis(1-ethylimidazole)?
The canonical SMILES for bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);hexakis(1-ethylimidazole) is CCn1ccnc1.CCn1ccnc1.CCn1ccnc1.CCn1ccnc1.CCn1ccnc1.CCn1ccnc1.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+2].
What is the InChIKey of bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);hexakis(1-ethylimidazole)?
The InChIKey is LDAGCOZKOOBAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/6C5H8N2.2C2F6NO4S2.Co/c6*1-2-7-4-3-6-5-7;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h6*3-5H,2H2,1H3;;;/q;;;;;;2*-1;+2.
What are the key properties of bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);hexakis(1-ethylimidazole)?
bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);hexakis(1-ethylimidazole) has a molecular weight of 1196.02 g/mol, XLogP of 7.53, 10 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);hexakis(1-ethylimidazole) is sourced from PubChem (CID 139171499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).