tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);tris(2-pyrazol-1-ylpyridine)

C30H21CoF18N12O12S6 — CID 154728151

IUPACtris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);tris(2-pyrazol-1-ylpyridine)
SMILESO=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].c1ccc(-n2cccn2)nc1.c1ccc(-n2cccn2)nc1.c1ccc(-n2cccn2)nc1
InChIInChI=1S/3C8H7N3.3C2F6NO4S2.Co/c3*1-2-5-9-8(4-1)11-7-3-6-10-11;3*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h3*1-7H;;;;/q;;;3*-1;+3
InChIKeyILXRZLQXWLMDFQ-UHFFFAOYSA-N
MW1334.87 g/mol
LogP6.98
Rot. Bonds9

About tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);tris(2-pyrazol-1-ylpyridine)

tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);tris(2-pyrazol-1-ylpyridine) (PubChem CID 154728151) has the molecular formula C30H21CoF18N12O12S6 and a molecular weight of 1334.87 g/mol. Its IUPAC name is tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);tris(2-pyrazol-1-ylpyridine).

Molecular Properties

Compound Nametris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);tris(2-pyrazol-1-ylpyridine)
PubChem CID154728151
Molecular FormulaC30H21CoF18N12O12S6
Molecular Weight1334.87 g/mol
Exact Mass1333.88
IUPAC Nametris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);tris(2-pyrazol-1-ylpyridine)
SMILESO=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].c1ccc(-n2cccn2)nc1.c1ccc(-n2cccn2)nc1.c1ccc(-n2cccn2)nc1
InChIInChI=1S/3C8H7N3.3C2F6NO4S2.Co/c3*1-2-5-9-8(4-1)11-7-3-6-10-11;3*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h3*1-7H;;;;/q;;;3*-1;+3
InChIKeyILXRZLQXWLMDFQ-UHFFFAOYSA-N
XLogP6.98
TPSA339.27 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds9
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001334.87
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

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Related Compounds

2Lambda4,2'lambda4,6,6',12,12',16lambda4,16'lambda4,17lambda4,17'lambda4-decaaza-1-cobalta-1,1'-spirobi(pentacyclo(9.5.1.02,6.07,17.012,16)heptadecane)-2,2',4,4',7,7',9,9',11(17),11'(17'),13,13',15,15'-tetradecaene-1,1-bis(ylium); bis(trifluoro((trifluoromethanesulfonylazanidyl)sulfonyl)methane)
CID 154728746
Tetrakis(cobalt(2+));cobalt(3+);tetrakis(pyridin-2-yl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide);tris(trifluoromethanesulfonate)
CID 139154587
Copper;bis(2-(1-pyridin-2-yltriazol-4-yl)pyridine);bis(trifluoromethanesulfonate)
CID 139200432
Bis[2,6-di(pyrazol-1-yl)-4-(thiomorpholin-1-yl)pyridine]iron(II) bis-trifluoromethanesulfonate
CID 168338960
Tris[4-(1,1-dimethylethyl)-2-(1H-pyrazol-1-yl)pyridine]cobalt salt with 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (1:3)
CID 146012615
Cobalt;tris(4-methyl-2-pyrazol-1-ylpyridine);methylsulfonyl(trifluoromethylsulfonyl)azanide;hexakis(2-pyrazol-1-yl-4-(trifluoromethyl)pyridine)
CID 157177063
FK 209 Co(III) TFSI salt
CID 157613930
Tetrakis(4-tert-butyl-2,6-di(pyrazol-1-yl)pyridine);cobalt;tetrakis(2,6-di(pyrazol-1-yl)pyridine);bis(methylsulfonyl(trifluoromethylsulfonyl)azanium)
CID 157731357
Cobalt;4,4,5,5,6,6-hexafluoro-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;4-methyl-2-pyrazol-1-ylpyridine;hexakis(2-pyrazol-1-ylpyridine);bis(2-pyrazol-1-yl-4-(trifluoromethyl)pyridine)
CID 158490150
Tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt;hexakis(4-ethyl-2-pyrazol-1-ylpyridine);4,4,5,5,6,6-hexafluoro-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;methylsulfonyl(trifluoromethylsulfonyl)azanide
CID 158542495
Cobalt;nonakis(4-methyl-2-pyrazol-1-ylpyridine);methylsulfonyl(trifluoromethylsulfonyl)azanide
CID 159694689
Nonakis(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt;4,4,5,5,6,6-hexafluoro-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;methylsulfonyl(trifluoromethylsulfonyl)azanide
CID 159923394

Frequently Asked Questions

What is the IUPAC name of tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);tris(2-pyrazol-1-ylpyridine)?
The IUPAC name of tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);tris(2-pyrazol-1-ylpyridine) (CID 154728151) is tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);tris(2-pyrazol-1-ylpyridine).
What is the SMILES notation for tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);tris(2-pyrazol-1-ylpyridine)?
The canonical SMILES for tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);tris(2-pyrazol-1-ylpyridine) is 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].c1ccc(-n2cccn2)nc1.c1ccc(-n2cccn2)nc1.c1ccc(-n2cccn2)nc1.
What is the InChIKey of tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);tris(2-pyrazol-1-ylpyridine)?
The InChIKey is ILXRZLQXWLMDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H7N3.3C2F6NO4S2.Co/c3*1-2-5-9-8(4-1)11-7-3-6-10-11;3*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h3*1-7H;;;;/q;;;3*-1;+3.
What are the key properties of tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);tris(2-pyrazol-1-ylpyridine)?
tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);tris(2-pyrazol-1-ylpyridine) has a molecular weight of 1334.87 g/mol, XLogP of 6.98, 9 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tris(bis(trifluoromethylsulfonyl)azanide);cobalt(3+);tris(2-pyrazol-1-ylpyridine) is sourced from PubChem (CID 154728151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).