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

C40H60CoF12N14O8S4 — CID 139171500

IUPACbis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);hexakis(1-propylimidazole)
SMILESCCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.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/6C6H10N2.2C2F6NO4S2.Co/c6*1-2-4-8-5-3-7-6-8;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h6*3,5-6H,2,4H2,1H3;;;/q;;;;;;2*-1;+2
InChIKeyONKYIMAAEAJILW-UHFFFAOYSA-N
MW1280.19 g/mol
LogP9.87
Rot. Bonds16

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

bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);hexakis(1-propylimidazole) (PubChem CID 139171500) has the molecular formula C40H60CoF12N14O8S4 and a molecular weight of 1280.19 g/mol. Its IUPAC name is bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);hexakis(1-propylimidazole).

Molecular Properties

Compound Namebis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);hexakis(1-propylimidazole)
PubChem CID139171500
Molecular FormulaC40H60CoF12N14O8S4
Molecular Weight1280.19 g/mol
Exact Mass1279.27
IUPAC Namebis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);hexakis(1-propylimidazole)
SMILESCCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.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/6C6H10N2.2C2F6NO4S2.Co/c6*1-2-4-8-5-3-7-6-8;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h6*3,5-6H,2,4H2,1H3;;;/q;;;;;;2*-1;+2
InChIKeyONKYIMAAEAJILW-UHFFFAOYSA-N
XLogP9.87
TPSA271.68 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001280.19
LogP ≤ 59.87
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-propylimidazole)?
The IUPAC name of bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);hexakis(1-propylimidazole) (CID 139171500) is bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);hexakis(1-propylimidazole).
What is the SMILES notation for bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);hexakis(1-propylimidazole)?
The canonical SMILES for bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);hexakis(1-propylimidazole) is CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.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-propylimidazole)?
The InChIKey is ONKYIMAAEAJILW-UHFFFAOYSA-N. The full InChI is InChI=1S/6C6H10N2.2C2F6NO4S2.Co/c6*1-2-4-8-5-3-7-6-8;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h6*3,5-6H,2,4H2,1H3;;;/q;;;;;;2*-1;+2.
What are the key properties of bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);hexakis(1-propylimidazole)?
bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);hexakis(1-propylimidazole) has a molecular weight of 1280.19 g/mol, XLogP of 9.87, 16 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-propylimidazole) is sourced from PubChem (CID 139171500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).