tetrakis(cobalt(3+));octakis(2,4-dichloro-6-[(pyridin-2-ylmethylamino)methyl]phenolate);tetraperchlorate

C104H88Cl20Co4N16O24 — CID 139152393

IUPACtetrakis(cobalt(3+));octakis(2,4-dichloro-6-[(pyridin-2-ylmethylamino)methyl]phenolate);tetraperchlorate
SMILES[Co+3].[Co+3].[Co+3].[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-]c1c(Cl)cc(Cl)cc1CNCc1ccccn1.[O-]c1c(Cl)cc(Cl)cc1CNCc1ccccn1.[O-]c1c(Cl)cc(Cl)cc1CNCc1ccccn1.[O-]c1c(Cl)cc(Cl)cc1CNCc1ccccn1.[O-]c1c(Cl)cc(Cl)cc1CNCc1ccccn1.[O-]c1c(Cl)cc(Cl)cc1CNCc1ccccn1.[O-]c1c(Cl)cc(Cl)cc1CNCc1ccccn1.[O-]c1c(Cl)cc(Cl)cc1CNCc1ccccn1
InChIInChI=1S/8C13H12Cl2N2O.4ClHO4.4Co/c8*14-10-5-9(13(18)12(15)6-10)7-16-8-11-3-1-2-4-17-11;4*2-1(3,4)5;;;;/h8*1-6,16,18H,7-8H2;4*(H,2,3,4,5);;;;/q;;;;;;;;;;;;4*+3/p-12
InChIKeyVLSCKIFHEPXMBH-UHFFFAOYSA-B
MW2890.73 g/mol
LogP2.98
Rot. Bonds32

About tetrakis(cobalt(3+));octakis(2,4-dichloro-6-[(pyridin-2-ylmethylamino)methyl]phenolate);tetraperchlorate

tetrakis(cobalt(3+));octakis(2,4-dichloro-6-[(pyridin-2-ylmethylamino)methyl]phenolate);tetraperchlorate (PubChem CID 139152393) has the molecular formula C104H88Cl20Co4N16O24 and a molecular weight of 2890.73 g/mol. Its IUPAC name is tetrakis(cobalt(3+));octakis(2,4-dichloro-6-[(pyridin-2-ylmethylamino)methyl]phenolate);tetraperchlorate.

Molecular Properties

Compound Nametetrakis(cobalt(3+));octakis(2,4-dichloro-6-[(pyridin-2-ylmethylamino)methyl]phenolate);tetraperchlorate
PubChem CID139152393
Molecular FormulaC104H88Cl20Co4N16O24
Molecular Weight2890.73 g/mol
Exact Mass2879.73
IUPAC Nametetrakis(cobalt(3+));octakis(2,4-dichloro-6-[(pyridin-2-ylmethylamino)methyl]phenolate);tetraperchlorate
SMILES[Co+3].[Co+3].[Co+3].[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-]c1c(Cl)cc(Cl)cc1CNCc1ccccn1.[O-]c1c(Cl)cc(Cl)cc1CNCc1ccccn1.[O-]c1c(Cl)cc(Cl)cc1CNCc1ccccn1.[O-]c1c(Cl)cc(Cl)cc1CNCc1ccccn1.[O-]c1c(Cl)cc(Cl)cc1CNCc1ccccn1.[O-]c1c(Cl)cc(Cl)cc1CNCc1ccccn1.[O-]c1c(Cl)cc(Cl)cc1CNCc1ccccn1.[O-]c1c(Cl)cc(Cl)cc1CNCc1ccccn1
InChIInChI=1S/8C13H12Cl2N2O.4ClHO4.4Co/c8*14-10-5-9(13(18)12(15)6-10)7-16-8-11-3-1-2-4-17-11;4*2-1(3,4)5;;;;/h8*1-6,16,18H,7-8H2;4*(H,2,3,4,5);;;;/q;;;;;;;;;;;;4*+3/p-12
InChIKeyVLSCKIFHEPXMBH-UHFFFAOYSA-B
XLogP2.98
TPSA752.80 Ų
H-Bond Donors8
H-Bond Acceptors40
Rotatable Bonds32
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002890.73
LogP ≤ 52.98
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1040

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Related Compounds

cobalt(3+);bis(2-[(pyridin-2-ylmethylamino)methyl]phenolate);perchlorate
CID 139152391
N'-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-N-[(2,3,5-trichlorophenyl)methyl]-N'-[2-[(2,3,5-trichlorophenyl)methylamino]ethyl]ethane-1,2-diamine
CID 59750954
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 4719779
azanylidyneoxidanium;2-[(pyridin-2-ylmethylamino)methyl]phenolate;ruthenium(2+);dichloride
CID 54576515
1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115697268
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-pyridin-2-ylmethanamine
CID 4213259
1-(2-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 2759812
1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 1085208
N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837
dicopper;bis(2-[(pyridin-2-ylmethylamino)methyl]phenolate);diisothiocyanate
CID 139077263
1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 4720614

Frequently Asked Questions

What is the IUPAC name of tetrakis(cobalt(3+));octakis(2,4-dichloro-6-[(pyridin-2-ylmethylamino)methyl]phenolate);tetraperchlorate?
The IUPAC name of tetrakis(cobalt(3+));octakis(2,4-dichloro-6-[(pyridin-2-ylmethylamino)methyl]phenolate);tetraperchlorate (CID 139152393) is tetrakis(cobalt(3+));octakis(2,4-dichloro-6-[(pyridin-2-ylmethylamino)methyl]phenolate);tetraperchlorate.
What is the SMILES notation for tetrakis(cobalt(3+));octakis(2,4-dichloro-6-[(pyridin-2-ylmethylamino)methyl]phenolate);tetraperchlorate?
The canonical SMILES for tetrakis(cobalt(3+));octakis(2,4-dichloro-6-[(pyridin-2-ylmethylamino)methyl]phenolate);tetraperchlorate is [Co+3].[Co+3].[Co+3].[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-]c1c(Cl)cc(Cl)cc1CNCc1ccccn1.[O-]c1c(Cl)cc(Cl)cc1CNCc1ccccn1.[O-]c1c(Cl)cc(Cl)cc1CNCc1ccccn1.[O-]c1c(Cl)cc(Cl)cc1CNCc1ccccn1.[O-]c1c(Cl)cc(Cl)cc1CNCc1ccccn1.[O-]c1c(Cl)cc(Cl)cc1CNCc1ccccn1.[O-]c1c(Cl)cc(Cl)cc1CNCc1ccccn1.[O-]c1c(Cl)cc(Cl)cc1CNCc1ccccn1.
What is the InChIKey of tetrakis(cobalt(3+));octakis(2,4-dichloro-6-[(pyridin-2-ylmethylamino)methyl]phenolate);tetraperchlorate?
The InChIKey is VLSCKIFHEPXMBH-UHFFFAOYSA-B. The full InChI is InChI=1S/8C13H12Cl2N2O.4ClHO4.4Co/c8*14-10-5-9(13(18)12(15)6-10)7-16-8-11-3-1-2-4-17-11;4*2-1(3,4)5;;;;/h8*1-6,16,18H,7-8H2;4*(H,2,3,4,5);;;;/q;;;;;;;;;;;;4*+3/p-12.
What are the key properties of tetrakis(cobalt(3+));octakis(2,4-dichloro-6-[(pyridin-2-ylmethylamino)methyl]phenolate);tetraperchlorate?
tetrakis(cobalt(3+));octakis(2,4-dichloro-6-[(pyridin-2-ylmethylamino)methyl]phenolate);tetraperchlorate has a molecular weight of 2890.73 g/mol, XLogP of 2.98, 32 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(cobalt(3+));octakis(2,4-dichloro-6-[(pyridin-2-ylmethylamino)methyl]phenolate);tetraperchlorate is sourced from PubChem (CID 139152393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).