diazanium;copper;tetrakis(2,3,4,5,6-pentachlorophenolate)

C24H8Cl20CuN2O4 — CID 159466115

IUPACdiazanium;copper;tetrakis(2,3,4,5,6-pentachlorophenolate)
SMILES[Cu+2].[NH4+].[NH4+].[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/4C6HCl5O.Cu.2H3N/c4*7-1-2(8)4(10)6(12)5(11)3(1)9;;;/h4*12H;;2*1H3/q;;;;+2;;/p-2
InChIKeyLVEYOSOPMOJACT-UHFFFAOYSA-L
MW1160.94 g/mol
LogP16.86
Rot. Bonds

About diazanium;copper;tetrakis(2,3,4,5,6-pentachlorophenolate)

diazanium;copper;tetrakis(2,3,4,5,6-pentachlorophenolate) (PubChem CID 159466115) has the molecular formula C24H8Cl20CuN2O4 and a molecular weight of 1160.94 g/mol. Its IUPAC name is diazanium;copper;tetrakis(2,3,4,5,6-pentachlorophenolate).

Molecular Properties

Compound Namediazanium;copper;tetrakis(2,3,4,5,6-pentachlorophenolate)
PubChem CID159466115
Molecular FormulaC24H8Cl20CuN2O4
Molecular Weight1160.94 g/mol
Exact Mass1150.36
IUPAC Namediazanium;copper;tetrakis(2,3,4,5,6-pentachlorophenolate)
SMILES[Cu+2].[NH4+].[NH4+].[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/4C6HCl5O.Cu.2H3N/c4*7-1-2(8)4(10)6(12)5(11)3(1)9;;;/h4*12H;;2*1H3/q;;;;+2;;/p-2
InChIKeyLVEYOSOPMOJACT-UHFFFAOYSA-L
XLogP16.86
TPSA165.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001160.94
LogP ≤ 516.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diazanium;copper;tetrakis(2,3,4,5,6-pentachlorophenolate)?
The IUPAC name of diazanium;copper;tetrakis(2,3,4,5,6-pentachlorophenolate) (CID 159466115) is diazanium;copper;tetrakis(2,3,4,5,6-pentachlorophenolate).
What is the SMILES notation for diazanium;copper;tetrakis(2,3,4,5,6-pentachlorophenolate)?
The canonical SMILES for diazanium;copper;tetrakis(2,3,4,5,6-pentachlorophenolate) is [Cu+2].[NH4+].[NH4+].[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of diazanium;copper;tetrakis(2,3,4,5,6-pentachlorophenolate)?
The InChIKey is LVEYOSOPMOJACT-UHFFFAOYSA-L. The full InChI is InChI=1S/4C6HCl5O.Cu.2H3N/c4*7-1-2(8)4(10)6(12)5(11)3(1)9;;;/h4*12H;;2*1H3/q;;;;+2;;/p-2.
What are the key properties of diazanium;copper;tetrakis(2,3,4,5,6-pentachlorophenolate)?
diazanium;copper;tetrakis(2,3,4,5,6-pentachlorophenolate) has a molecular weight of 1160.94 g/mol, XLogP of 16.86, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;copper;tetrakis(2,3,4,5,6-pentachlorophenolate) is sourced from PubChem (CID 159466115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).