tris(bis(trifluoromethylsulfonyl)azanide);tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt(3+)

C42H45CoF18N12O12S6 — CID 146012615

IUPACtris(bis(trifluoromethylsulfonyl)azanide);tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt(3+)
SMILESCC(C)(C)c1ccnc(-n2cccn2)c1.CC(C)(C)c1ccnc(-n2cccn2)c1.CC(C)(C)c1ccnc(-n2cccn2)c1.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]
InChIInChI=1S/3C12H15N3.3C2F6NO4S2.Co/c3*1-12(2,3)10-5-7-13-11(9-10)15-8-4-6-14-15;3*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h3*4-9H,1-3H3;;;;/q;;;3*-1;+3
InChIKeyCLFSUXDTZJJJOK-UHFFFAOYSA-N
MW1503.19 g/mol
LogP10.87
Rot. Bonds9

About tris(bis(trifluoromethylsulfonyl)azanide);tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt(3+)

tris(bis(trifluoromethylsulfonyl)azanide);tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt(3+) (PubChem CID 146012615) has the molecular formula C42H45CoF18N12O12S6 and a molecular weight of 1503.19 g/mol. Its IUPAC name is tris(bis(trifluoromethylsulfonyl)azanide);tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt(3+).

Molecular Properties

Compound Nametris(bis(trifluoromethylsulfonyl)azanide);tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt(3+)
PubChem CID146012615
Molecular FormulaC42H45CoF18N12O12S6
Molecular Weight1503.19 g/mol
Exact Mass1502.06
IUPAC Nametris(bis(trifluoromethylsulfonyl)azanide);tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt(3+)
SMILESCC(C)(C)c1ccnc(-n2cccn2)c1.CC(C)(C)c1ccnc(-n2cccn2)c1.CC(C)(C)c1ccnc(-n2cccn2)c1.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]
InChIInChI=1S/3C12H15N3.3C2F6NO4S2.Co/c3*1-12(2,3)10-5-7-13-11(9-10)15-8-4-6-14-15;3*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h3*4-9H,1-3H3;;;;/q;;;3*-1;+3
InChIKeyCLFSUXDTZJJJOK-UHFFFAOYSA-N
XLogP10.87
TPSA339.27 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds9
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001503.19
LogP ≤ 510.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

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Related Compounds

tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt
CID 157199810
cobalt;nonakis(4-methyl-2-pyrazol-1-ylpyridine);methylsulfonyl(trifluoromethylsulfonyl)azanide
CID 159694689
bis(bis(trifluoromethylsulfonyl)azanide);cobalt(2+);tris(2-pyrazol-1-ylpyridine)
CID 163353978
2-pyrazol-1-ylpyridin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 159342983
tetrakis(4-tert-butyl-2,6-di(pyrazol-1-yl)pyridine);bis(cobalt(2+));bis(cobalt(3+));tetrakis(2,6-di(pyrazol-1-yl)pyridine)
CID 158524727
2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propan-2-amine
CID 62294663
2,6-di(pyrazol-1-yl)-4-(trifluoromethyl)pyridine
CID 170460067
2-(4-tert-butylphenyl)sulfanyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
CID 55619723
9-(4-tert-butyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;platinum(4+)
CID 86342842
5-tert-butyl-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 30868177
1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 170968677
4-tert-butylpyridine-2-sulfonic acid
CID 10656321

Frequently Asked Questions

What is the IUPAC name of tris(bis(trifluoromethylsulfonyl)azanide);tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt(3+)?
The IUPAC name of tris(bis(trifluoromethylsulfonyl)azanide);tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt(3+) (CID 146012615) is tris(bis(trifluoromethylsulfonyl)azanide);tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt(3+).
What is the SMILES notation for tris(bis(trifluoromethylsulfonyl)azanide);tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt(3+)?
The canonical SMILES for tris(bis(trifluoromethylsulfonyl)azanide);tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt(3+) is CC(C)(C)c1ccnc(-n2cccn2)c1.CC(C)(C)c1ccnc(-n2cccn2)c1.CC(C)(C)c1ccnc(-n2cccn2)c1.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].
What is the InChIKey of tris(bis(trifluoromethylsulfonyl)azanide);tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt(3+)?
The InChIKey is CLFSUXDTZJJJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H15N3.3C2F6NO4S2.Co/c3*1-12(2,3)10-5-7-13-11(9-10)15-8-4-6-14-15;3*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h3*4-9H,1-3H3;;;;/q;;;3*-1;+3.
What are the key properties of tris(bis(trifluoromethylsulfonyl)azanide);tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt(3+)?
tris(bis(trifluoromethylsulfonyl)azanide);tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt(3+) has a molecular weight of 1503.19 g/mol, XLogP of 10.87, 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);tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt(3+) is sourced from PubChem (CID 146012615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).