hexakis(cobalt(2+));hexadecakis(pyridine);octaacetate;tetrahexafluorophosphate

C96H104Co6F24N16O16P4 — CID 139059315

IUPAChexakis(cobalt(2+));hexadecakis(pyridine);octaacetate;tetrahexafluorophosphate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/16C5H5N.8C2H4O2.6Co.4F6P/c16*1-2-4-6-5-3-1;8*1-2(3)4;;;;;;;4*1-7(2,3,4,5)6/h16*1-5H;8*1H3,(H,3,4);;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;6*+2;4*-1/p-8
InChIKeyNIXFDNVEOVYTGA-UHFFFAOYSA-F
MW2671.43 g/mol
LogP20.87
Rot. Bonds

About hexakis(cobalt(2+));hexadecakis(pyridine);octaacetate;tetrahexafluorophosphate

hexakis(cobalt(2+));hexadecakis(pyridine);octaacetate;tetrahexafluorophosphate (PubChem CID 139059315) has the molecular formula C96H104Co6F24N16O16P4 and a molecular weight of 2671.43 g/mol. Its IUPAC name is hexakis(cobalt(2+));hexadecakis(pyridine);octaacetate;tetrahexafluorophosphate.

Molecular Properties

Compound Namehexakis(cobalt(2+));hexadecakis(pyridine);octaacetate;tetrahexafluorophosphate
PubChem CID139059315
Molecular FormulaC96H104Co6F24N16O16P4
Molecular Weight2671.43 g/mol
Exact Mass2670.24
IUPAC Namehexakis(cobalt(2+));hexadecakis(pyridine);octaacetate;tetrahexafluorophosphate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/16C5H5N.8C2H4O2.6Co.4F6P/c16*1-2-4-6-5-3-1;8*1-2(3)4;;;;;;;4*1-7(2,3,4,5)6/h16*1-5H;8*1H3,(H,3,4);;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;6*+2;4*-1/p-8
InChIKeyNIXFDNVEOVYTGA-UHFFFAOYSA-F
XLogP20.87
TPSA527.28 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002671.43
LogP ≤ 520.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

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Related Compounds

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CID 67804829
tris(cobalt(3+));dichloromethane;manganese;tetrakis(oxygen(2-));tris(pyridine);pentaacetate
CID 139125431
acetyl bromide;pyridine
CID 87730061
ethane;bis(propan-2-one);pyridine;bis(pyrimidine)
CID 158052279
lithium;zinc;tris(2,2-dimethylpropanoate);pyridine
CID 139143810
silver;2-hydroxy-2-methylpropanoate;pyridine
CID 162318466
silver;benzene;acetate
CID 174986985
cobalt(2+);bis(pyridine)
CID 71357223
acetyl acetate;ethane;pyridine
CID 143350505
tetrakis(2-chloroacetate);tetrakis(cobalt(3+));tris(dichloromethane);tetrakis(oxygen(2-));tetrakis(pyridine)
CID 139049867

Frequently Asked Questions

What is the IUPAC name of hexakis(cobalt(2+));hexadecakis(pyridine);octaacetate;tetrahexafluorophosphate?
The IUPAC name of hexakis(cobalt(2+));hexadecakis(pyridine);octaacetate;tetrahexafluorophosphate (CID 139059315) is hexakis(cobalt(2+));hexadecakis(pyridine);octaacetate;tetrahexafluorophosphate.
What is the SMILES notation for hexakis(cobalt(2+));hexadecakis(pyridine);octaacetate;tetrahexafluorophosphate?
The canonical SMILES for hexakis(cobalt(2+));hexadecakis(pyridine);octaacetate;tetrahexafluorophosphate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].[Co+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of hexakis(cobalt(2+));hexadecakis(pyridine);octaacetate;tetrahexafluorophosphate?
The InChIKey is NIXFDNVEOVYTGA-UHFFFAOYSA-F. The full InChI is InChI=1S/16C5H5N.8C2H4O2.6Co.4F6P/c16*1-2-4-6-5-3-1;8*1-2(3)4;;;;;;;4*1-7(2,3,4,5)6/h16*1-5H;8*1H3,(H,3,4);;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;6*+2;4*-1/p-8.
What are the key properties of hexakis(cobalt(2+));hexadecakis(pyridine);octaacetate;tetrahexafluorophosphate?
hexakis(cobalt(2+));hexadecakis(pyridine);octaacetate;tetrahexafluorophosphate has a molecular weight of 2671.43 g/mol, XLogP of 20.87, 0 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(cobalt(2+));hexadecakis(pyridine);octaacetate;tetrahexafluorophosphate is sourced from PubChem (CID 139059315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).