tetrakis(cobalt(2+));cobalt(3+);tetrakis(pyridin-2-yl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide);diisothiocyanate;perchlorate

C62H44ClCo5N22O4S2 — CID 139154585

IUPACtetrakis(cobalt(2+));cobalt(3+);tetrakis(pyridin-2-yl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide);diisothiocyanate;perchlorate
SMILES[Co+2].[Co+2].[Co+2].[Co+2].[Co+3].[N-]=C=S.[N-]=C=S.[O-][Cl+3]([O-])([O-])[O-].c1ccc([N-]c2cccc([N-]c3ccccn3)n2)nc1.c1ccc([N-]c2cccc([N-]c3ccccn3)n2)nc1.c1ccc([N-]c2cccc([N-]c3ccccn3)n2)nc1.c1ccc([N-]c2cccc([N-]c3ccccn3)n2)nc1
InChIInChI=1S/4C15H11N5.2CNS.ClHO4.5Co/c4*1-3-10-16-12(6-1)18-14-8-5-9-15(20-14)19-13-7-2-4-11-17-13;2*2-1-3;2-1(3,4)5;;;;;/h4*1-11H;;;(H,2,3,4,5);;;;;/q4*-2;2*-1;;4*+2;+3/p-1
InChIKeyQJKWTWZNTFYQAS-UHFFFAOYSA-M
MW1555.44 g/mol
LogP14.73
Rot. Bonds16

About tetrakis(cobalt(2+));cobalt(3+);tetrakis(pyridin-2-yl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide);diisothiocyanate;perchlorate

tetrakis(cobalt(2+));cobalt(3+);tetrakis(pyridin-2-yl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide);diisothiocyanate;perchlorate (PubChem CID 139154585) has the molecular formula C62H44ClCo5N22O4S2 and a molecular weight of 1555.44 g/mol. Its IUPAC name is tetrakis(cobalt(2+));cobalt(3+);tetrakis(pyridin-2-yl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide);diisothiocyanate;perchlorate.

Molecular Properties

Compound Nametetrakis(cobalt(2+));cobalt(3+);tetrakis(pyridin-2-yl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide);diisothiocyanate;perchlorate
PubChem CID139154585
Molecular FormulaC62H44ClCo5N22O4S2
Molecular Weight1555.44 g/mol
Exact Mass1553.97
IUPAC Nametetrakis(cobalt(2+));cobalt(3+);tetrakis(pyridin-2-yl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide);diisothiocyanate;perchlorate
SMILES[Co+2].[Co+2].[Co+2].[Co+2].[Co+3].[N-]=C=S.[N-]=C=S.[O-][Cl+3]([O-])([O-])[O-].c1ccc([N-]c2cccc([N-]c3ccccn3)n2)nc1.c1ccc([N-]c2cccc([N-]c3ccccn3)n2)nc1.c1ccc([N-]c2cccc([N-]c3ccccn3)n2)nc1.c1ccc([N-]c2cccc([N-]c3ccccn3)n2)nc1
InChIInChI=1S/4C15H11N5.2CNS.ClHO4.5Co/c4*1-3-10-16-12(6-1)18-14-8-5-9-15(20-14)19-13-7-2-4-11-17-13;2*2-1-3;2-1(3,4)5;;;;;/h4*1-11H;;;(H,2,3,4,5);;;;;/q4*-2;2*-1;;4*+2;+3/p-1
InChIKeyQJKWTWZNTFYQAS-UHFFFAOYSA-M
XLogP14.73
TPSA404.32 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001555.44
LogP ≤ 514.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Tetrakis(cobalt(2+));cobalt(3+);tetrakis(pyridin-2-yl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide);tris(trifluoromethanesulfonate)
CID 139154587
Dichloromethane;iron(2+);bis(trifluoromethanesulfonate);bis(tris[methyl(pyridin-2-yl)amino]phosphanium)
CID 168337945
MoW(dpa)4(OTf)
CID 168338072
Tris(acetonitrile);tris(cobalt(2+));tetrakis(dipyridin-2-ylazanide);ethoxyethane;dihexafluorophosphate
CID 139051549
bis[2,4,6-tris(2-pyridyl)-1,3,5-triazine-kappa^2^N^2^,N^4^]zinc(II) hexaoxo-mu-peroxo-disulfate(VI) dihydrate
CID 139059231
Di-mu~2~-sulfito-kappa^4^O,O':kappa^4^O',O''-[2,4,6-tris(2-pyridyl)-1,3,5-triazine-kappa^3^N^2^,N^1^,N^6^]cadmium(II) octahydrate
CID 139059783
Bis(di-2-pyridylaminato N,N'-dioxide)nickel(II) methanol solvate
CID 139069474
Bis[bis(1-oxo-2-pyridyl)aminato]copper(II) tetrahydrate
CID 139076268
Cr3(dpa)4(NO3)2,Et2O
CID 139119133
Cr3(dpa)4(NCO)2
CID 139119135
Tetrakis(nickel(2+));pentane;tetrakis(phenyl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide)
CID 139120466
Tetrakis(2,2'-dipyridylamidinato)dichromium(II)
CID 139120522

Frequently Asked Questions

What is the IUPAC name of tetrakis(cobalt(2+));cobalt(3+);tetrakis(pyridin-2-yl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide);diisothiocyanate;perchlorate?
The IUPAC name of tetrakis(cobalt(2+));cobalt(3+);tetrakis(pyridin-2-yl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide);diisothiocyanate;perchlorate (CID 139154585) is tetrakis(cobalt(2+));cobalt(3+);tetrakis(pyridin-2-yl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide);diisothiocyanate;perchlorate.
What is the SMILES notation for tetrakis(cobalt(2+));cobalt(3+);tetrakis(pyridin-2-yl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide);diisothiocyanate;perchlorate?
The canonical SMILES for tetrakis(cobalt(2+));cobalt(3+);tetrakis(pyridin-2-yl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide);diisothiocyanate;perchlorate is [Co+2].[Co+2].[Co+2].[Co+2].[Co+3].[N-]=C=S.[N-]=C=S.[O-][Cl+3]([O-])([O-])[O-].c1ccc([N-]c2cccc([N-]c3ccccn3)n2)nc1.c1ccc([N-]c2cccc([N-]c3ccccn3)n2)nc1.c1ccc([N-]c2cccc([N-]c3ccccn3)n2)nc1.c1ccc([N-]c2cccc([N-]c3ccccn3)n2)nc1.
What is the InChIKey of tetrakis(cobalt(2+));cobalt(3+);tetrakis(pyridin-2-yl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide);diisothiocyanate;perchlorate?
The InChIKey is QJKWTWZNTFYQAS-UHFFFAOYSA-M. The full InChI is InChI=1S/4C15H11N5.2CNS.ClHO4.5Co/c4*1-3-10-16-12(6-1)18-14-8-5-9-15(20-14)19-13-7-2-4-11-17-13;2*2-1-3;2-1(3,4)5;;;;;/h4*1-11H;;;(H,2,3,4,5);;;;;/q4*-2;2*-1;;4*+2;+3/p-1.
What are the key properties of tetrakis(cobalt(2+));cobalt(3+);tetrakis(pyridin-2-yl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide);diisothiocyanate;perchlorate?
tetrakis(cobalt(2+));cobalt(3+);tetrakis(pyridin-2-yl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide);diisothiocyanate;perchlorate has a molecular weight of 1555.44 g/mol, XLogP of 14.73, 16 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(cobalt(2+));cobalt(3+);tetrakis(pyridin-2-yl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide);diisothiocyanate;perchlorate is sourced from PubChem (CID 139154585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).