tris(cobalt(2+));bis(pyridin-2-amine);tetrakis(2-[(E)-pyridin-2-yliminomethyl]phenolate);diperchlorate

C58H48Cl2Co3N12O12 — CID 139206120

IUPACtris(cobalt(2+));bis(pyridin-2-amine);tetrakis(2-[(E)-pyridin-2-yliminomethyl]phenolate);diperchlorate
SMILESNc1ccccn1.Nc1ccccn1.[Co+2].[Co+2].[Co+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccccc1/C=N/c1ccccn1.[O-]c1ccccc1/C=N/c1ccccn1.[O-]c1ccccc1/C=N/c1ccccn1.[O-]c1ccccc1/C=N/c1ccccn1
InChIInChI=1S/4C12H10N2O.2C5H6N2.2ClHO4.3Co/c4*15-11-6-2-1-5-10(11)9-14-12-7-3-4-8-13-12;2*6-5-3-1-2-4-7-5;2*2-1(3,4)5;;;/h4*1-9,15H;2*1-4H,(H2,6,7);2*(H,2,3,4,5);;;/q;;;;;;;;3*+2/p-6/b4*14-9+;;;;;;;
InChIKeyZDZNEPUJMWGCHZ-HFZCQJCUSA-H
MW1352.80 g/mol
LogP-0.57
Rot. Bonds8

About tris(cobalt(2+));bis(pyridin-2-amine);tetrakis(2-[(E)-pyridin-2-yliminomethyl]phenolate);diperchlorate

tris(cobalt(2+));bis(pyridin-2-amine);tetrakis(2-[(E)-pyridin-2-yliminomethyl]phenolate);diperchlorate (PubChem CID 139206120) has the molecular formula C58H48Cl2Co3N12O12 and a molecular weight of 1352.80 g/mol. Its IUPAC name is tris(cobalt(2+));bis(pyridin-2-amine);tetrakis(2-[(E)-pyridin-2-yliminomethyl]phenolate);diperchlorate.

Molecular Properties

Compound Nametris(cobalt(2+));bis(pyridin-2-amine);tetrakis(2-[(E)-pyridin-2-yliminomethyl]phenolate);diperchlorate
PubChem CID139206120
Molecular FormulaC58H48Cl2Co3N12O12
Molecular Weight1352.80 g/mol
Exact Mass1351.09
IUPAC Nametris(cobalt(2+));bis(pyridin-2-amine);tetrakis(2-[(E)-pyridin-2-yliminomethyl]phenolate);diperchlorate
SMILESNc1ccccn1.Nc1ccccn1.[Co+2].[Co+2].[Co+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccccc1/C=N/c1ccccn1.[O-]c1ccccc1/C=N/c1ccccn1.[O-]c1ccccc1/C=N/c1ccccn1.[O-]c1ccccc1/C=N/c1ccccn1
InChIInChI=1S/4C12H10N2O.2C5H6N2.2ClHO4.3Co/c4*15-11-6-2-1-5-10(11)9-14-12-7-3-4-8-13-12;2*6-5-3-1-2-4-7-5;2*2-1(3,4)5;;;/h4*1-9,15H;2*1-4H,(H2,6,7);2*(H,2,3,4,5);;;/q;;;;;;;;3*+2/p-6/b4*14-9+;;;;;;;
InChIKeyZDZNEPUJMWGCHZ-HFZCQJCUSA-H
XLogP-0.57
TPSA455.54 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds8
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001352.80
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

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Related Compounds

methanol;tris(nickel(2+));bis(pyridin-2-amine);tetrakis(2-[(E)-pyridin-2-yliminomethyl]phenolate);dinitrate
CID 139136722
Tetrakis(cobalt(2+));tetrakis([2,6-di(propan-2-yl)phenyl] phosphate);tetrakis(pyridin-2-amine)
CID 139165763
cobalt;bis(cobalt(3+));bis(piperidin-1-id-2-amine);2-(piperidin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(piperidin-2-yliminomethyl)cyclohexan-1-ol;2-(2H-pyridin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(pyridin-2-yliminomethyl)phenol
CID 5247513
cobalt;bis(cobalt(3+));bis(piperidin-1-id-2-amine);2-(piperidin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(piperidin-2-yliminomethyl)cyclohexan-1-ol;2-(2H-pyridin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-[(E)-pyridin-2-yliminomethyl]phenol
CID 136143568

Frequently Asked Questions

What is the IUPAC name of tris(cobalt(2+));bis(pyridin-2-amine);tetrakis(2-[(E)-pyridin-2-yliminomethyl]phenolate);diperchlorate?
The IUPAC name of tris(cobalt(2+));bis(pyridin-2-amine);tetrakis(2-[(E)-pyridin-2-yliminomethyl]phenolate);diperchlorate (CID 139206120) is tris(cobalt(2+));bis(pyridin-2-amine);tetrakis(2-[(E)-pyridin-2-yliminomethyl]phenolate);diperchlorate.
What is the SMILES notation for tris(cobalt(2+));bis(pyridin-2-amine);tetrakis(2-[(E)-pyridin-2-yliminomethyl]phenolate);diperchlorate?
The canonical SMILES for tris(cobalt(2+));bis(pyridin-2-amine);tetrakis(2-[(E)-pyridin-2-yliminomethyl]phenolate);diperchlorate is Nc1ccccn1.Nc1ccccn1.[Co+2].[Co+2].[Co+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccccc1/C=N/c1ccccn1.[O-]c1ccccc1/C=N/c1ccccn1.[O-]c1ccccc1/C=N/c1ccccn1.[O-]c1ccccc1/C=N/c1ccccn1.
What is the InChIKey of tris(cobalt(2+));bis(pyridin-2-amine);tetrakis(2-[(E)-pyridin-2-yliminomethyl]phenolate);diperchlorate?
The InChIKey is ZDZNEPUJMWGCHZ-HFZCQJCUSA-H. The full InChI is InChI=1S/4C12H10N2O.2C5H6N2.2ClHO4.3Co/c4*15-11-6-2-1-5-10(11)9-14-12-7-3-4-8-13-12;2*6-5-3-1-2-4-7-5;2*2-1(3,4)5;;;/h4*1-9,15H;2*1-4H,(H2,6,7);2*(H,2,3,4,5);;;/q;;;;;;;;3*+2/p-6/b4*14-9+;;;;;;;.
What are the key properties of tris(cobalt(2+));bis(pyridin-2-amine);tetrakis(2-[(E)-pyridin-2-yliminomethyl]phenolate);diperchlorate?
tris(cobalt(2+));bis(pyridin-2-amine);tetrakis(2-[(E)-pyridin-2-yliminomethyl]phenolate);diperchlorate has a molecular weight of 1352.80 g/mol, XLogP of -0.57, 8 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tris(cobalt(2+));bis(pyridin-2-amine);tetrakis(2-[(E)-pyridin-2-yliminomethyl]phenolate);diperchlorate is sourced from PubChem (CID 139206120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).