cobalt;hexakis(4-ethyl-2-pyrazol-1-ylpyridine);4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;tris(4-methyl-2-pyrazol-1-ylpyridine)

C90H93Co3F6N28O4S2- — CID 161272045

IUPACcobalt;hexakis(4-ethyl-2-pyrazol-1-ylpyridine);4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;tris(4-methyl-2-pyrazol-1-ylpyridine)
SMILESCCc1ccnc(-n2cccn2)c1.CCc1ccnc(-n2cccn2)c1.CCc1ccnc(-n2cccn2)c1.CCc1ccnc(-n2cccn2)c1.CCc1ccnc(-n2cccn2)c1.CCc1ccnc(-n2cccn2)c1.Cc1ccnc(-n2cccn2)c1.Cc1ccnc(-n2cccn2)c1.Cc1ccnc(-n2cccn2)c1.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.[Co].[Co].[Co]
InChIInChI=1S/6C10H11N3.3C9H9N3.C3F6NO4S2.3Co/c6*1-2-9-4-6-11-10(8-9)13-7-3-5-12-13;3*1-8-3-5-10-9(7-8)12-6-2-4-11-12;4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9;;;/h6*3-8H,2H2,1H3;3*2-7H,1H3;;;;/q;;;;;;;;;-1;;;
InChIKeyVDYHKTSGJYVLNU-UHFFFAOYSA-N
MW1985.85 g/mol
LogP16.55
Rot. Bonds15

About cobalt;hexakis(4-ethyl-2-pyrazol-1-ylpyridine);4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;tris(4-methyl-2-pyrazol-1-ylpyridine)

cobalt;hexakis(4-ethyl-2-pyrazol-1-ylpyridine);4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;tris(4-methyl-2-pyrazol-1-ylpyridine) (PubChem CID 161272045) has the molecular formula C90H93Co3F6N28O4S2- and a molecular weight of 1985.85 g/mol. Its IUPAC name is cobalt;hexakis(4-ethyl-2-pyrazol-1-ylpyridine);4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;tris(4-methyl-2-pyrazol-1-ylpyridine).

Molecular Properties

Compound Namecobalt;hexakis(4-ethyl-2-pyrazol-1-ylpyridine);4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;tris(4-methyl-2-pyrazol-1-ylpyridine)
PubChem CID161272045
Molecular FormulaC90H93Co3F6N28O4S2-
Molecular Weight1985.85 g/mol
Exact Mass1984.53
IUPAC Namecobalt;hexakis(4-ethyl-2-pyrazol-1-ylpyridine);4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;tris(4-methyl-2-pyrazol-1-ylpyridine)
SMILESCCc1ccnc(-n2cccn2)c1.CCc1ccnc(-n2cccn2)c1.CCc1ccnc(-n2cccn2)c1.CCc1ccnc(-n2cccn2)c1.CCc1ccnc(-n2cccn2)c1.CCc1ccnc(-n2cccn2)c1.Cc1ccnc(-n2cccn2)c1.Cc1ccnc(-n2cccn2)c1.Cc1ccnc(-n2cccn2)c1.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.[Co].[Co].[Co]
InChIInChI=1S/6C10H11N3.3C9H9N3.C3F6NO4S2.3Co/c6*1-2-9-4-6-11-10(8-9)13-7-3-5-12-13;3*1-8-3-5-10-9(7-8)12-6-2-4-11-12;4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9;;;/h6*3-8H,2H2,1H3;3*2-7H,1H3;;;;/q;;;;;;;;;-1;;;
InChIKeyVDYHKTSGJYVLNU-UHFFFAOYSA-N
XLogP16.55
TPSA358.77 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds15
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001985.85
LogP ≤ 516.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze cobalt;hexakis(4-ethyl-2-pyrazol-1-ylpyridine);4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;tris(4-methyl-2-pyrazol-1-ylpyridine) with MolForge

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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
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

Frequently Asked Questions

What is the IUPAC name of cobalt;hexakis(4-ethyl-2-pyrazol-1-ylpyridine);4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;tris(4-methyl-2-pyrazol-1-ylpyridine)?
The IUPAC name of cobalt;hexakis(4-ethyl-2-pyrazol-1-ylpyridine);4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;tris(4-methyl-2-pyrazol-1-ylpyridine) (CID 161272045) is cobalt;hexakis(4-ethyl-2-pyrazol-1-ylpyridine);4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;tris(4-methyl-2-pyrazol-1-ylpyridine).
What is the SMILES notation for cobalt;hexakis(4-ethyl-2-pyrazol-1-ylpyridine);4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;tris(4-methyl-2-pyrazol-1-ylpyridine)?
The canonical SMILES for cobalt;hexakis(4-ethyl-2-pyrazol-1-ylpyridine);4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;tris(4-methyl-2-pyrazol-1-ylpyridine) is CCc1ccnc(-n2cccn2)c1.CCc1ccnc(-n2cccn2)c1.CCc1ccnc(-n2cccn2)c1.CCc1ccnc(-n2cccn2)c1.CCc1ccnc(-n2cccn2)c1.CCc1ccnc(-n2cccn2)c1.Cc1ccnc(-n2cccn2)c1.Cc1ccnc(-n2cccn2)c1.Cc1ccnc(-n2cccn2)c1.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.[Co].[Co].[Co].
What is the InChIKey of cobalt;hexakis(4-ethyl-2-pyrazol-1-ylpyridine);4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;tris(4-methyl-2-pyrazol-1-ylpyridine)?
The InChIKey is VDYHKTSGJYVLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/6C10H11N3.3C9H9N3.C3F6NO4S2.3Co/c6*1-2-9-4-6-11-10(8-9)13-7-3-5-12-13;3*1-8-3-5-10-9(7-8)12-6-2-4-11-12;4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9;;;/h6*3-8H,2H2,1H3;3*2-7H,1H3;;;;/q;;;;;;;;;-1;;;.
What are the key properties of cobalt;hexakis(4-ethyl-2-pyrazol-1-ylpyridine);4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;tris(4-methyl-2-pyrazol-1-ylpyridine)?
cobalt;hexakis(4-ethyl-2-pyrazol-1-ylpyridine);4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;tris(4-methyl-2-pyrazol-1-ylpyridine) has a molecular weight of 1985.85 g/mol, XLogP of 16.55, 15 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;hexakis(4-ethyl-2-pyrazol-1-ylpyridine);4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;tris(4-methyl-2-pyrazol-1-ylpyridine) is sourced from PubChem (CID 161272045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).