tris(cobalt(3+));dichloromethane;manganese;tetrakis(oxygen(2-));tris(pyridine);pentaacetate

C26H32Cl2Co3MnN3O14-4 — CID 139125431

IUPACtris(cobalt(3+));dichloromethane;manganese;tetrakis(oxygen(2-));tris(pyridine);pentaacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].ClCCl.[Co+3].[Co+3].[Co+3].[Mn].[O-2].[O-2].[O-2].[O-2].c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/3C5H5N.5C2H4O2.CH2Cl2.3Co.Mn.4O/c3*1-2-4-6-5-3-1;5*1-2(3)4;2-1-3;;;;;;;;/h3*1-5H;5*1H3,(H,3,4);1H2;;;;;;;;/q;;;;;;;;;3*+3;;4*-2/p-5
InChIKeyPAECONYMPPNIBK-UHFFFAOYSA-I
MW913.19 g/mol
LogP-2.04
Rot. Bonds

About tris(cobalt(3+));dichloromethane;manganese;tetrakis(oxygen(2-));tris(pyridine);pentaacetate

tris(cobalt(3+));dichloromethane;manganese;tetrakis(oxygen(2-));tris(pyridine);pentaacetate (PubChem CID 139125431) has the molecular formula C26H32Cl2Co3MnN3O14-4 and a molecular weight of 913.19 g/mol. Its IUPAC name is tris(cobalt(3+));dichloromethane;manganese;tetrakis(oxygen(2-));tris(pyridine);pentaacetate.

Molecular Properties

Compound Nametris(cobalt(3+));dichloromethane;manganese;tetrakis(oxygen(2-));tris(pyridine);pentaacetate
PubChem CID139125431
Molecular FormulaC26H32Cl2Co3MnN3O14-4
Molecular Weight913.19 g/mol
Exact Mass911.87
IUPAC Nametris(cobalt(3+));dichloromethane;manganese;tetrakis(oxygen(2-));tris(pyridine);pentaacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].ClCCl.[Co+3].[Co+3].[Co+3].[Mn].[O-2].[O-2].[O-2].[O-2].c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/3C5H5N.5C2H4O2.CH2Cl2.3Co.Mn.4O/c3*1-2-4-6-5-3-1;5*1-2(3)4;2-1-3;;;;;;;;/h3*1-5H;5*1H3,(H,3,4);1H2;;;;;;;;/q;;;;;;;;;3*+3;;4*-2/p-5
InChIKeyPAECONYMPPNIBK-UHFFFAOYSA-I
XLogP-2.04
TPSA353.32 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.19
LogP ≤ 5-2.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(2-chloroacetate);tetrakis(cobalt(3+));tris(dichloromethane);tetrakis(oxygen(2-));tetrakis(pyridine)
CID 139049867
hexakis(cobalt(2+));hexadecakis(pyridine);octaacetate;tetrahexafluorophosphate
CID 139059315
acetic acid;bis(pyridine);hydrate
CID 67804829
acetic acid;ethane;pyridine
CID 91392032
acetyl bromide;pyridine
CID 87730061
dichloromethane;palladium(2+);diacetate
CID 175069770
hexane;propan-2-one;pyridine
CID 66842615
bis(2-methylpent-1-en-3-one);pyridine
CID 159594079
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

Frequently Asked Questions

What is the IUPAC name of tris(cobalt(3+));dichloromethane;manganese;tetrakis(oxygen(2-));tris(pyridine);pentaacetate?
The IUPAC name of tris(cobalt(3+));dichloromethane;manganese;tetrakis(oxygen(2-));tris(pyridine);pentaacetate (CID 139125431) is tris(cobalt(3+));dichloromethane;manganese;tetrakis(oxygen(2-));tris(pyridine);pentaacetate.
What is the SMILES notation for tris(cobalt(3+));dichloromethane;manganese;tetrakis(oxygen(2-));tris(pyridine);pentaacetate?
The canonical SMILES for tris(cobalt(3+));dichloromethane;manganese;tetrakis(oxygen(2-));tris(pyridine);pentaacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].ClCCl.[Co+3].[Co+3].[Co+3].[Mn].[O-2].[O-2].[O-2].[O-2].c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of tris(cobalt(3+));dichloromethane;manganese;tetrakis(oxygen(2-));tris(pyridine);pentaacetate?
The InChIKey is PAECONYMPPNIBK-UHFFFAOYSA-I. The full InChI is InChI=1S/3C5H5N.5C2H4O2.CH2Cl2.3Co.Mn.4O/c3*1-2-4-6-5-3-1;5*1-2(3)4;2-1-3;;;;;;;;/h3*1-5H;5*1H3,(H,3,4);1H2;;;;;;;;/q;;;;;;;;;3*+3;;4*-2/p-5.
What are the key properties of tris(cobalt(3+));dichloromethane;manganese;tetrakis(oxygen(2-));tris(pyridine);pentaacetate?
tris(cobalt(3+));dichloromethane;manganese;tetrakis(oxygen(2-));tris(pyridine);pentaacetate has a molecular weight of 913.19 g/mol, XLogP of -2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tris(cobalt(3+));dichloromethane;manganese;tetrakis(oxygen(2-));tris(pyridine);pentaacetate is sourced from PubChem (CID 139125431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).