cobalt;tris(4-methyl-2-pyrazol-1-ylpyridine);methylsulfonyl(trifluoromethylsulfonyl)azanide;hexakis(2-pyrazol-1-yl-4-(trifluoromethyl)pyridine)

C83H66Co3F21N28O4S2- — CID 157177063

IUPACcobalt;tris(4-methyl-2-pyrazol-1-ylpyridine);methylsulfonyl(trifluoromethylsulfonyl)azanide;hexakis(2-pyrazol-1-yl-4-(trifluoromethyl)pyridine)
SMILESCS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.Cc1ccnc(-n2cccn2)c1.Cc1ccnc(-n2cccn2)c1.Cc1ccnc(-n2cccn2)c1.FC(F)(F)c1ccnc(-n2cccn2)c1.FC(F)(F)c1ccnc(-n2cccn2)c1.FC(F)(F)c1ccnc(-n2cccn2)c1.FC(F)(F)c1ccnc(-n2cccn2)c1.FC(F)(F)c1ccnc(-n2cccn2)c1.FC(F)(F)c1ccnc(-n2cccn2)c1.[Co].[Co].[Co]
InChIInChI=1S/6C9H6F3N3.3C9H9N3.C2H3F3NO4S2.3Co/c6*10-9(11,12)7-2-4-13-8(6-7)15-5-1-3-14-15;3*1-8-3-5-10-9(7-8)12-6-2-4-11-12;1-11(7,8)6-12(9,10)2(3,4)5;;;/h6*1-6H;3*2-7H,1H3;1H3;;;/q;;;;;;;;;-1;;;
InChIKeyAODASPPRAQPNOH-UHFFFAOYSA-N
MW2159.52 g/mol
LogP18.61
Rot. Bonds11

About cobalt;tris(4-methyl-2-pyrazol-1-ylpyridine);methylsulfonyl(trifluoromethylsulfonyl)azanide;hexakis(2-pyrazol-1-yl-4-(trifluoromethyl)pyridine)

cobalt;tris(4-methyl-2-pyrazol-1-ylpyridine);methylsulfonyl(trifluoromethylsulfonyl)azanide;hexakis(2-pyrazol-1-yl-4-(trifluoromethyl)pyridine) (PubChem CID 157177063) has the molecular formula C83H66Co3F21N28O4S2- and a molecular weight of 2159.52 g/mol. Its IUPAC name is cobalt;tris(4-methyl-2-pyrazol-1-ylpyridine);methylsulfonyl(trifluoromethylsulfonyl)azanide;hexakis(2-pyrazol-1-yl-4-(trifluoromethyl)pyridine).

Molecular Properties

Compound Namecobalt;tris(4-methyl-2-pyrazol-1-ylpyridine);methylsulfonyl(trifluoromethylsulfonyl)azanide;hexakis(2-pyrazol-1-yl-4-(trifluoromethyl)pyridine)
PubChem CID157177063
Molecular FormulaC83H66Co3F21N28O4S2-
Molecular Weight2159.52 g/mol
Exact Mass2158.29
IUPAC Namecobalt;tris(4-methyl-2-pyrazol-1-ylpyridine);methylsulfonyl(trifluoromethylsulfonyl)azanide;hexakis(2-pyrazol-1-yl-4-(trifluoromethyl)pyridine)
SMILESCS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.Cc1ccnc(-n2cccn2)c1.Cc1ccnc(-n2cccn2)c1.Cc1ccnc(-n2cccn2)c1.FC(F)(F)c1ccnc(-n2cccn2)c1.FC(F)(F)c1ccnc(-n2cccn2)c1.FC(F)(F)c1ccnc(-n2cccn2)c1.FC(F)(F)c1ccnc(-n2cccn2)c1.FC(F)(F)c1ccnc(-n2cccn2)c1.FC(F)(F)c1ccnc(-n2cccn2)c1.[Co].[Co].[Co]
InChIInChI=1S/6C9H6F3N3.3C9H9N3.C2H3F3NO4S2.3Co/c6*10-9(11,12)7-2-4-13-8(6-7)15-5-1-3-14-15;3*1-8-3-5-10-9(7-8)12-6-2-4-11-12;1-11(7,8)6-12(9,10)2(3,4)5;;;/h6*1-6H;3*2-7H,1H3;1H3;;;/q;;;;;;;;;-1;;;
InChIKeyAODASPPRAQPNOH-UHFFFAOYSA-N
XLogP18.61
TPSA358.77 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds11
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002159.52
LogP ≤ 518.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

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Related Compounds

2,2',2'',6Lambda4,6'lambda4,6''lambda4,8lambda4,8'lambda4,8''lambda4-nonaaza-7-cobalta-7,7',7''-spiroter[tricyclo[6.4.0.02,6]dodecane]-1(12),1'(12'),1''(12''),3,3',3'',5,5',5'',8,8',8'',10,10',10''-pentadecaene-7,7,7-tris(ylium); tris(trifluoro[(trifluoromethanesulfonylazanidyl)sulfonyl]methane)
CID 154728151
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
Hexacopper;hexakis(pyrazol-1-ide);tetrakis(pyridine);4-pyridin-4-ylpyridine;tetrakis(trifluoromethanesulfonate);dihydroxide
CID 139144709
Disilver;bis(4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);bis(trifluoromethanesulfonate)
CID 139147453
Tetrakis(cobalt(2+));cobalt(3+);tetrakis(pyridin-2-yl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide);tris(trifluoromethanesulfonate)
CID 139154587
MoW(dpa)4(OTf)
CID 168338072
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
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

Frequently Asked Questions

What is the IUPAC name of cobalt;tris(4-methyl-2-pyrazol-1-ylpyridine);methylsulfonyl(trifluoromethylsulfonyl)azanide;hexakis(2-pyrazol-1-yl-4-(trifluoromethyl)pyridine)?
The IUPAC name of cobalt;tris(4-methyl-2-pyrazol-1-ylpyridine);methylsulfonyl(trifluoromethylsulfonyl)azanide;hexakis(2-pyrazol-1-yl-4-(trifluoromethyl)pyridine) (CID 157177063) is cobalt;tris(4-methyl-2-pyrazol-1-ylpyridine);methylsulfonyl(trifluoromethylsulfonyl)azanide;hexakis(2-pyrazol-1-yl-4-(trifluoromethyl)pyridine).
What is the SMILES notation for cobalt;tris(4-methyl-2-pyrazol-1-ylpyridine);methylsulfonyl(trifluoromethylsulfonyl)azanide;hexakis(2-pyrazol-1-yl-4-(trifluoromethyl)pyridine)?
The canonical SMILES for cobalt;tris(4-methyl-2-pyrazol-1-ylpyridine);methylsulfonyl(trifluoromethylsulfonyl)azanide;hexakis(2-pyrazol-1-yl-4-(trifluoromethyl)pyridine) is CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.Cc1ccnc(-n2cccn2)c1.Cc1ccnc(-n2cccn2)c1.Cc1ccnc(-n2cccn2)c1.FC(F)(F)c1ccnc(-n2cccn2)c1.FC(F)(F)c1ccnc(-n2cccn2)c1.FC(F)(F)c1ccnc(-n2cccn2)c1.FC(F)(F)c1ccnc(-n2cccn2)c1.FC(F)(F)c1ccnc(-n2cccn2)c1.FC(F)(F)c1ccnc(-n2cccn2)c1.[Co].[Co].[Co].
What is the InChIKey of cobalt;tris(4-methyl-2-pyrazol-1-ylpyridine);methylsulfonyl(trifluoromethylsulfonyl)azanide;hexakis(2-pyrazol-1-yl-4-(trifluoromethyl)pyridine)?
The InChIKey is AODASPPRAQPNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/6C9H6F3N3.3C9H9N3.C2H3F3NO4S2.3Co/c6*10-9(11,12)7-2-4-13-8(6-7)15-5-1-3-14-15;3*1-8-3-5-10-9(7-8)12-6-2-4-11-12;1-11(7,8)6-12(9,10)2(3,4)5;;;/h6*1-6H;3*2-7H,1H3;1H3;;;/q;;;;;;;;;-1;;;.
What are the key properties of cobalt;tris(4-methyl-2-pyrazol-1-ylpyridine);methylsulfonyl(trifluoromethylsulfonyl)azanide;hexakis(2-pyrazol-1-yl-4-(trifluoromethyl)pyridine)?
cobalt;tris(4-methyl-2-pyrazol-1-ylpyridine);methylsulfonyl(trifluoromethylsulfonyl)azanide;hexakis(2-pyrazol-1-yl-4-(trifluoromethyl)pyridine) has a molecular weight of 2159.52 g/mol, XLogP of 18.61, 11 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;tris(4-methyl-2-pyrazol-1-ylpyridine);methylsulfonyl(trifluoromethylsulfonyl)azanide;hexakis(2-pyrazol-1-yl-4-(trifluoromethyl)pyridine) is sourced from PubChem (CID 157177063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).