bis(cobalt(3+));tetrakis(2-methoxy-6-[(pyridin-2-ylmethylamino)methyl]phenolate);diperchlorate;dihydrate

C56H64Cl2Co2N8O18 — CID 139152392

IUPACbis(cobalt(3+));tetrakis(2-methoxy-6-[(pyridin-2-ylmethylamino)methyl]phenolate);diperchlorate;dihydrate
SMILESCOc1cccc(CNCc2ccccn2)c1[O-].COc1cccc(CNCc2ccccn2)c1[O-].COc1cccc(CNCc2ccccn2)c1[O-].COc1cccc(CNCc2ccccn2)c1[O-].O.O.[Co+3].[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/4C14H16N2O2.2ClHO4.2Co.2H2O/c4*1-18-13-7-4-5-11(14(13)17)9-15-10-12-6-2-3-8-16-12;2*2-1(3,4)5;;;;/h4*2-8,15,17H,9-10H2,1H3;2*(H,2,3,4,5);;;2*1H2/q;;;;;;2*+3;;/p-6
InChIKeyODLWYJISJZOJDT-UHFFFAOYSA-H
MW1325.94 g/mol
LogP-5.35
Rot. Bonds20

About bis(cobalt(3+));tetrakis(2-methoxy-6-[(pyridin-2-ylmethylamino)methyl]phenolate);diperchlorate;dihydrate

bis(cobalt(3+));tetrakis(2-methoxy-6-[(pyridin-2-ylmethylamino)methyl]phenolate);diperchlorate;dihydrate (PubChem CID 139152392) has the molecular formula C56H64Cl2Co2N8O18 and a molecular weight of 1325.94 g/mol. Its IUPAC name is bis(cobalt(3+));tetrakis(2-methoxy-6-[(pyridin-2-ylmethylamino)methyl]phenolate);diperchlorate;dihydrate.

Molecular Properties

Compound Namebis(cobalt(3+));tetrakis(2-methoxy-6-[(pyridin-2-ylmethylamino)methyl]phenolate);diperchlorate;dihydrate
PubChem CID139152392
Molecular FormulaC56H64Cl2Co2N8O18
Molecular Weight1325.94 g/mol
Exact Mass1324.24
IUPAC Namebis(cobalt(3+));tetrakis(2-methoxy-6-[(pyridin-2-ylmethylamino)methyl]phenolate);diperchlorate;dihydrate
SMILESCOc1cccc(CNCc2ccccn2)c1[O-].COc1cccc(CNCc2ccccn2)c1[O-].COc1cccc(CNCc2ccccn2)c1[O-].COc1cccc(CNCc2ccccn2)c1[O-].O.O.[Co+3].[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/4C14H16N2O2.2ClHO4.2Co.2H2O/c4*1-18-13-7-4-5-11(14(13)17)9-15-10-12-6-2-3-8-16-12;2*2-1(3,4)5;;;;/h4*2-8,15,17H,9-10H2,1H3;2*(H,2,3,4,5);;;2*1H2/q;;;;;;2*+3;;/p-6
InChIKeyODLWYJISJZOJDT-UHFFFAOYSA-H
XLogP-5.35
TPSA476.32 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001325.94
LogP ≤ 5-5.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

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Related Compounds

Dicopper;tetrakis(acetonitrile);bis(2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-methoxyphenolate);diperchlorate
CID 139160139
Bis(2-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-6-methoxy-4-methylphenolate);bis(oxygen(2-));tetrakis(propan-1-olate);bis(vanadium)
CID 139164658
Cobalt(3+);2-(3-ethoxypropyliminomethyl)-6-methoxyphenolate;bis(2-pyridin-2-ylpyridine);diperchlorate
CID 139169092
Tetracopper;ethoxyethane;tetrakis(2-[4-[2-hydroxyethyl(pyridin-2-ylmethyl)amino]butyliminomethyl]-6-methoxyphenolate);tetraperchlorate
CID 139177154
2-[[bis(pyridin-2-ylmethyl)amino]methyl]-4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-[(11-methyl-3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaen-3-yl)methyl]phenol;4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-(3,11,17,18-tetrazatricyclo[11.3.1.15,9]octadeca-1(16),5,7,9(18),13(17),14-hexaen-3-ylmethyl)phenol
CID 159834881
2-(5,6-Dimethyl-2-pyridinyl)-6-methoxyquinoline;tetrakis(iridium);6-methoxy-2-(3-methyl-2-pyridinyl)quinoline;6-methoxy-2-(4-methyl-2-pyridinyl)quinoline;6-methoxy-2-(5-methyl-2-pyridinyl)quinoline;tetrakis(pentane-2,4-diol)
CID 160612855
5,5-Dimethyl-3-phenylchromeno[2,3-c]pyridine;tetrakis(iridium);1-phenyl-[1,4]benzodioxino[2,3-c]pyridine;3-phenyl-[1,4]benzodioxino[2,3-c]pyridine;7-phenyl-3-phenyl-[1,4]benzodioxino[2,3-c]pyridine;tetrakis(2-phenylpyridine)
CID 161656038
Tetrakis(dichloromethane);tetrakis(2-methoxy-4-methyl-6-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenolate);tetrakis(oxygen(2-));octakis(propan-1-olate);tetrakis(vanadium)
CID 139164659

Frequently Asked Questions

What is the IUPAC name of bis(cobalt(3+));tetrakis(2-methoxy-6-[(pyridin-2-ylmethylamino)methyl]phenolate);diperchlorate;dihydrate?
The IUPAC name of bis(cobalt(3+));tetrakis(2-methoxy-6-[(pyridin-2-ylmethylamino)methyl]phenolate);diperchlorate;dihydrate (CID 139152392) is bis(cobalt(3+));tetrakis(2-methoxy-6-[(pyridin-2-ylmethylamino)methyl]phenolate);diperchlorate;dihydrate.
What is the SMILES notation for bis(cobalt(3+));tetrakis(2-methoxy-6-[(pyridin-2-ylmethylamino)methyl]phenolate);diperchlorate;dihydrate?
The canonical SMILES for bis(cobalt(3+));tetrakis(2-methoxy-6-[(pyridin-2-ylmethylamino)methyl]phenolate);diperchlorate;dihydrate is COc1cccc(CNCc2ccccn2)c1[O-].COc1cccc(CNCc2ccccn2)c1[O-].COc1cccc(CNCc2ccccn2)c1[O-].COc1cccc(CNCc2ccccn2)c1[O-].O.O.[Co+3].[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of bis(cobalt(3+));tetrakis(2-methoxy-6-[(pyridin-2-ylmethylamino)methyl]phenolate);diperchlorate;dihydrate?
The InChIKey is ODLWYJISJZOJDT-UHFFFAOYSA-H. The full InChI is InChI=1S/4C14H16N2O2.2ClHO4.2Co.2H2O/c4*1-18-13-7-4-5-11(14(13)17)9-15-10-12-6-2-3-8-16-12;2*2-1(3,4)5;;;;/h4*2-8,15,17H,9-10H2,1H3;2*(H,2,3,4,5);;;2*1H2/q;;;;;;2*+3;;/p-6.
What are the key properties of bis(cobalt(3+));tetrakis(2-methoxy-6-[(pyridin-2-ylmethylamino)methyl]phenolate);diperchlorate;dihydrate?
bis(cobalt(3+));tetrakis(2-methoxy-6-[(pyridin-2-ylmethylamino)methyl]phenolate);diperchlorate;dihydrate has a molecular weight of 1325.94 g/mol, XLogP of -5.35, 20 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cobalt(3+));tetrakis(2-methoxy-6-[(pyridin-2-ylmethylamino)methyl]phenolate);diperchlorate;dihydrate is sourced from PubChem (CID 139152392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).