pentakis(cobalt(2+));cobalt(3+);hexakis(1,10-phenanthroline-2,9-dicarboxylate);chloride

C84H36ClCo6N12O24 — CID 139089141

IUPACpentakis(cobalt(2+));cobalt(3+);hexakis(1,10-phenanthroline-2,9-dicarboxylate);chloride
SMILESO=C([O-])c1ccc2ccc3ccc(C(=O)[O-])nc3c2n1.O=C([O-])c1ccc2ccc3ccc(C(=O)[O-])nc3c2n1.O=C([O-])c1ccc2ccc3ccc(C(=O)[O-])nc3c2n1.O=C([O-])c1ccc2ccc3ccc(C(=O)[O-])nc3c2n1.O=C([O-])c1ccc2ccc3ccc(C(=O)[O-])nc3c2n1.O=C([O-])c1ccc2ccc3ccc(C(=O)[O-])nc3c2n1.[Cl-].[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].[Co+3]
InChIInChI=1S/6C14H8N2O4.ClH.6Co/c6*17-13(18)9-5-3-7-1-2-8-4-6-10(14(19)20)16-12(8)11(7)15-9;;;;;;;/h6*1-6H,(H,17,18)(H,19,20);1H;;;;;;/q;;;;;;;5*+2;+3/p-13
InChIKeyLEGNVSSZZRGADV-UHFFFAOYSA-A
MW1986.32 g/mol
LogP-5.95
Rot. Bonds12

About pentakis(cobalt(2+));cobalt(3+);hexakis(1,10-phenanthroline-2,9-dicarboxylate);chloride

pentakis(cobalt(2+));cobalt(3+);hexakis(1,10-phenanthroline-2,9-dicarboxylate);chloride (PubChem CID 139089141) has the molecular formula C84H36ClCo6N12O24 and a molecular weight of 1986.32 g/mol. Its IUPAC name is pentakis(cobalt(2+));cobalt(3+);hexakis(1,10-phenanthroline-2,9-dicarboxylate);chloride.

Molecular Properties

Compound Namepentakis(cobalt(2+));cobalt(3+);hexakis(1,10-phenanthroline-2,9-dicarboxylate);chloride
PubChem CID139089141
Molecular FormulaC84H36ClCo6N12O24
Molecular Weight1986.32 g/mol
Exact Mass1984.76
IUPAC Namepentakis(cobalt(2+));cobalt(3+);hexakis(1,10-phenanthroline-2,9-dicarboxylate);chloride
SMILESO=C([O-])c1ccc2ccc3ccc(C(=O)[O-])nc3c2n1.O=C([O-])c1ccc2ccc3ccc(C(=O)[O-])nc3c2n1.O=C([O-])c1ccc2ccc3ccc(C(=O)[O-])nc3c2n1.O=C([O-])c1ccc2ccc3ccc(C(=O)[O-])nc3c2n1.O=C([O-])c1ccc2ccc3ccc(C(=O)[O-])nc3c2n1.O=C([O-])c1ccc2ccc3ccc(C(=O)[O-])nc3c2n1.[Cl-].[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].[Co+3]
InChIInChI=1S/6C14H8N2O4.ClH.6Co/c6*17-13(18)9-5-3-7-1-2-8-4-6-10(14(19)20)16-12(8)11(7)15-9;;;;;;;/h6*1-6H,(H,17,18)(H,19,20);1H;;;;;;/q;;;;;;;5*+2;+3/p-13
InChIKeyLEGNVSSZZRGADV-UHFFFAOYSA-A
XLogP-5.95
TPSA636.24 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds12
Heavy Atoms127
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001986.32
LogP ≤ 5-5.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Vanadium phenanthrolinate
CID 129794847
bis(2-carboxyl-9-dihydroxymethyl-1,10-phenanthroline) cobalt(II) hydrate
CID 139055104
Bis[copper(I)-di-1,10-phenanthroline)]terephthalate bisperchlorate
CID 139057769
tris(dibenzoylmethanido)(o-phenanthroline)europium(III)
CID 139065699
(2,9-Dimethyl-1,10-phenanthroline)(4-hydroxypyridine-2,6-dicarboxylato)copper(II) trihydrate
CID 139076866
Tetrakis(1,10-phenanthroline)-1kappa^4^N,N';3kappa^4^N,N'-bis(mu-pyridine-2,6-dicarboxylato)-1:2kappa^5^O^2^,O^2'^: O^2^,N,O^6^;2:3kappa^5^O^2^,N,O^6^: O^6^,O^6-^-(pyridine-2,6-dicarboxylato)-2kappa^3^O^2^,N,O^6^-1,3-dicopper(II)-2-terbium(III) nitrate tetrahydrate
CID 139084251
Bis(ethanamidinium) (1,10-phenanthroline-2,9-dicarboxylato)manganate(II) heptahydrate
CID 139085032
Bis(1,10-phenanthroline-2,9-dicarboxylate);thorium(4+);trihydrate
CID 139127545
hexakis(N,N-dimethylformamide);tris(iron(2+));hexakis(quinoline-2-carboxylate)
CID 139131631
Dizinc;tetrakis(5-cyanopyridine-2-carboxylate);methanol;bis(1,10-phenanthroline);toluene
CID 139177647
Bis(dimethyl 1,10-phenanthroline-2,9-dicarboxylate);iron(2+);diperchlorate;dihydrate
CID 139187413
Tetracopper;tetrakis(6-carboxypyridine-2-carboxylate);bis(1,10-phenanthroline);bis(pyridine-2,6-dicarboxylate);undecahydrate
CID 139197745

Frequently Asked Questions

What is the IUPAC name of pentakis(cobalt(2+));cobalt(3+);hexakis(1,10-phenanthroline-2,9-dicarboxylate);chloride?
The IUPAC name of pentakis(cobalt(2+));cobalt(3+);hexakis(1,10-phenanthroline-2,9-dicarboxylate);chloride (CID 139089141) is pentakis(cobalt(2+));cobalt(3+);hexakis(1,10-phenanthroline-2,9-dicarboxylate);chloride.
What is the SMILES notation for pentakis(cobalt(2+));cobalt(3+);hexakis(1,10-phenanthroline-2,9-dicarboxylate);chloride?
The canonical SMILES for pentakis(cobalt(2+));cobalt(3+);hexakis(1,10-phenanthroline-2,9-dicarboxylate);chloride is O=C([O-])c1ccc2ccc3ccc(C(=O)[O-])nc3c2n1.O=C([O-])c1ccc2ccc3ccc(C(=O)[O-])nc3c2n1.O=C([O-])c1ccc2ccc3ccc(C(=O)[O-])nc3c2n1.O=C([O-])c1ccc2ccc3ccc(C(=O)[O-])nc3c2n1.O=C([O-])c1ccc2ccc3ccc(C(=O)[O-])nc3c2n1.O=C([O-])c1ccc2ccc3ccc(C(=O)[O-])nc3c2n1.[Cl-].[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].[Co+3].
What is the InChIKey of pentakis(cobalt(2+));cobalt(3+);hexakis(1,10-phenanthroline-2,9-dicarboxylate);chloride?
The InChIKey is LEGNVSSZZRGADV-UHFFFAOYSA-A. The full InChI is InChI=1S/6C14H8N2O4.ClH.6Co/c6*17-13(18)9-5-3-7-1-2-8-4-6-10(14(19)20)16-12(8)11(7)15-9;;;;;;;/h6*1-6H,(H,17,18)(H,19,20);1H;;;;;;/q;;;;;;;5*+2;+3/p-13.
What are the key properties of pentakis(cobalt(2+));cobalt(3+);hexakis(1,10-phenanthroline-2,9-dicarboxylate);chloride?
pentakis(cobalt(2+));cobalt(3+);hexakis(1,10-phenanthroline-2,9-dicarboxylate);chloride has a molecular weight of 1986.32 g/mol, XLogP of -5.95, 12 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(cobalt(2+));cobalt(3+);hexakis(1,10-phenanthroline-2,9-dicarboxylate);chloride is sourced from PubChem (CID 139089141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).