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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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).