dicopper;bis(copper(1+));2-(5-pyridin-2-yl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;pentakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);dihydrate

C72H52Cu4N30O2 — CID 139060989

IUPACdicopper;bis(copper(1+));2-(5-pyridin-2-yl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;pentakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);dihydrate
SMILESO.O.[Cu+2].[Cu+2].[Cu+].[Cu+].c1ccc(-c2n[n-]c(-c3ccccn3)n2)nc1.c1ccc(-c2n[n-]c(-c3ccccn3)n2)nc1.c1ccc(-c2n[n-]c(-c3ccccn3)n2)nc1.c1ccc(-c2n[n-]c(-c3ccccn3)n2)nc1.c1ccc(-c2n[n-]c(-c3ccccn3)n2)nc1.c1ccc(-c2nnc(-c3ccccn3)[n-]2)nc1
InChIInChI=1S/6C12H8N5.4Cu.2H2O/c6*1-3-7-13-9(5-1)11-15-12(17-16-11)10-6-2-4-8-14-10;;;;;;/h6*1-8H;;;;;2*1H2/q6*-1;2*+1;2*+2;;
InChIKeyYYEPPXJMNFTHMW-UHFFFAOYSA-N
MW1623.60 g/mol
LogP7.69
Rot. Bonds12

About dicopper;bis(copper(1+));2-(5-pyridin-2-yl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;pentakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);dihydrate

dicopper;bis(copper(1+));2-(5-pyridin-2-yl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;pentakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);dihydrate (PubChem CID 139060989) has the molecular formula C72H52Cu4N30O2 and a molecular weight of 1623.60 g/mol. Its IUPAC name is dicopper;bis(copper(1+));2-(5-pyridin-2-yl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;pentakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);dihydrate.

Molecular Properties

Compound Namedicopper;bis(copper(1+));2-(5-pyridin-2-yl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;pentakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);dihydrate
PubChem CID139060989
Molecular FormulaC72H52Cu4N30O2
Molecular Weight1623.60 g/mol
Exact Mass1620.21
IUPAC Namedicopper;bis(copper(1+));2-(5-pyridin-2-yl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;pentakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);dihydrate
SMILESO.O.[Cu+2].[Cu+2].[Cu+].[Cu+].c1ccc(-c2n[n-]c(-c3ccccn3)n2)nc1.c1ccc(-c2n[n-]c(-c3ccccn3)n2)nc1.c1ccc(-c2n[n-]c(-c3ccccn3)n2)nc1.c1ccc(-c2n[n-]c(-c3ccccn3)n2)nc1.c1ccc(-c2n[n-]c(-c3ccccn3)n2)nc1.c1ccc(-c2nnc(-c3ccccn3)[n-]2)nc1
InChIInChI=1S/6C12H8N5.4Cu.2H2O/c6*1-3-7-13-9(5-1)11-15-12(17-16-11)10-6-2-4-8-14-10;;;;;;/h6*1-8H;;;;;2*1H2/q6*-1;2*+1;2*+2;;
InChIKeyYYEPPXJMNFTHMW-UHFFFAOYSA-N
XLogP7.69
TPSA456.96 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001623.60
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze dicopper;bis(copper(1+));2-(5-pyridin-2-yl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;pentakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);dihydrate with MolForge

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Related Compounds

Platinum(2+);bis(3-pyridin-2-yl-[1,2,4]triazolo[4,3-a]pyridine)
CID 155809276
Platinum(II) bis[3-(pyridin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine]
CID 142576013
Bis(dimethyl(phenyl)phosphanium);osmium(2+);bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine);hydrate
CID 168338208
Tetrakis(dimethyl(phenyl)phosphanium);bis(osmium(2+));bis(2-pyridin-2-ylpyridine);3-(trifluoromethyl)-5-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-1,4-diaza-2-azanidacyclopenta-3,5-diene;3-(trifluoromethyl)-5-[5-(trifluoromethyl)-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl]-1,4-diaza-2-azanidacyclopenta-3,5-diene
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Tetrakis(bis(pyridin-2-ylmethyl)azanide);bis(iron(2+))
CID 139115232
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium(3+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 58567832
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium(3+);5-(5-pyridin-2-yl-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl)-2-(trifluoromethyl)pyridine
CID 58771573
Methanone;osmium(2+);bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)
CID 58788801
[(Z)-2-diphenylphosphaniumylethenyl]-diphenylphosphanium;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;osmium(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 58788806
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;2-(2-fluoro-4-methylbenzene-6-id-1-yl)pyridine;iridium(3+);5-(5-pyridin-2-yl-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl)-2-(trifluoromethyl)pyridine
CID 59167574
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;iridium(3+);bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)
CID 59729588
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;iridium(3+);bis(4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)
CID 59729591

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(copper(1+));2-(5-pyridin-2-yl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;pentakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);dihydrate?
The IUPAC name of dicopper;bis(copper(1+));2-(5-pyridin-2-yl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;pentakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);dihydrate (CID 139060989) is dicopper;bis(copper(1+));2-(5-pyridin-2-yl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;pentakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);dihydrate.
What is the SMILES notation for dicopper;bis(copper(1+));2-(5-pyridin-2-yl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;pentakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);dihydrate?
The canonical SMILES for dicopper;bis(copper(1+));2-(5-pyridin-2-yl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;pentakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);dihydrate is O.O.[Cu+2].[Cu+2].[Cu+].[Cu+].c1ccc(-c2n[n-]c(-c3ccccn3)n2)nc1.c1ccc(-c2n[n-]c(-c3ccccn3)n2)nc1.c1ccc(-c2n[n-]c(-c3ccccn3)n2)nc1.c1ccc(-c2n[n-]c(-c3ccccn3)n2)nc1.c1ccc(-c2n[n-]c(-c3ccccn3)n2)nc1.c1ccc(-c2nnc(-c3ccccn3)[n-]2)nc1.
What is the InChIKey of dicopper;bis(copper(1+));2-(5-pyridin-2-yl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;pentakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);dihydrate?
The InChIKey is YYEPPXJMNFTHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/6C12H8N5.4Cu.2H2O/c6*1-3-7-13-9(5-1)11-15-12(17-16-11)10-6-2-4-8-14-10;;;;;;/h6*1-8H;;;;;2*1H2/q6*-1;2*+1;2*+2;;.
What are the key properties of dicopper;bis(copper(1+));2-(5-pyridin-2-yl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;pentakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);dihydrate?
dicopper;bis(copper(1+));2-(5-pyridin-2-yl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;pentakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);dihydrate has a molecular weight of 1623.60 g/mol, XLogP of 7.69, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(copper(1+));2-(5-pyridin-2-yl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)pyridine;pentakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);dihydrate is sourced from PubChem (CID 139060989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).