dicopper;bis(2-pyridin-2-ylpyridine);diselenite;hexahydrate

C20H28Cu2N4O12Se2 — CID 139126662

IUPACdicopper;bis(2-pyridin-2-ylpyridine);diselenite;hexahydrate
SMILESO.O.O.O.O.O.O=[Se]([O-])[O-].O=[Se]([O-])[O-].[Cu+2].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2Cu.2H2O3Se.6H2O/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;2*1-4(2)3;;;;;;/h2*1-8H;;;2*(H2,1,2,3);6*1H2/q;;2*+2;;;;;;;;/p-4
InChIKeyAENSGAWIPWPPSU-UHFFFAOYSA-J
MW801.47 g/mol
LogP-6.42
Rot. Bonds2

About dicopper;bis(2-pyridin-2-ylpyridine);diselenite;hexahydrate

dicopper;bis(2-pyridin-2-ylpyridine);diselenite;hexahydrate (PubChem CID 139126662) has the molecular formula C20H28Cu2N4O12Se2 and a molecular weight of 801.47 g/mol. Its IUPAC name is dicopper;bis(2-pyridin-2-ylpyridine);diselenite;hexahydrate.

Molecular Properties

Compound Namedicopper;bis(2-pyridin-2-ylpyridine);diselenite;hexahydrate
PubChem CID139126662
Molecular FormulaC20H28Cu2N4O12Se2
Molecular Weight801.47 g/mol
Exact Mass801.86
IUPAC Namedicopper;bis(2-pyridin-2-ylpyridine);diselenite;hexahydrate
SMILESO.O.O.O.O.O.O=[Se]([O-])[O-].O=[Se]([O-])[O-].[Cu+2].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2Cu.2H2O3Se.6H2O/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;2*1-4(2)3;;;;;;/h2*1-8H;;;2*(H2,1,2,3);6*1H2/q;;2*+2;;;;;;;;/p-4
InChIKeyAENSGAWIPWPPSU-UHFFFAOYSA-J
XLogP-6.42
TPSA366.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500801.47
LogP ≤ 5-6.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

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CID 174707743

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(2-pyridin-2-ylpyridine);diselenite;hexahydrate?
The IUPAC name of dicopper;bis(2-pyridin-2-ylpyridine);diselenite;hexahydrate (CID 139126662) is dicopper;bis(2-pyridin-2-ylpyridine);diselenite;hexahydrate.
What is the SMILES notation for dicopper;bis(2-pyridin-2-ylpyridine);diselenite;hexahydrate?
The canonical SMILES for dicopper;bis(2-pyridin-2-ylpyridine);diselenite;hexahydrate is O.O.O.O.O.O.O=[Se]([O-])[O-].O=[Se]([O-])[O-].[Cu+2].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of dicopper;bis(2-pyridin-2-ylpyridine);diselenite;hexahydrate?
The InChIKey is AENSGAWIPWPPSU-UHFFFAOYSA-J. The full InChI is InChI=1S/2C10H8N2.2Cu.2H2O3Se.6H2O/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;2*1-4(2)3;;;;;;/h2*1-8H;;;2*(H2,1,2,3);6*1H2/q;;2*+2;;;;;;;;/p-4.
What are the key properties of dicopper;bis(2-pyridin-2-ylpyridine);diselenite;hexahydrate?
dicopper;bis(2-pyridin-2-ylpyridine);diselenite;hexahydrate has a molecular weight of 801.47 g/mol, XLogP of -6.42, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(2-pyridin-2-ylpyridine);diselenite;hexahydrate is sourced from PubChem (CID 139126662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).