tetrakis(copper(1+));tetrakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine)

C48H32Cu4N20 — CID 139179596

IUPACtetrakis(copper(1+));tetrakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine)
SMILES[Cu+].[Cu+].[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
InChIInChI=1S/4C12H8N5.4Cu/c4*1-3-7-13-9(5-1)11-15-12(17-16-11)10-6-2-4-8-14-10;;;;/h4*1-8H;;;;/q4*-1;4*+1
InChIKeyIVJMKGMPPFDOTK-UHFFFAOYSA-N
MW1143.11 g/mol
LogP6.22
Rot. Bonds8

About tetrakis(copper(1+));tetrakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine)

tetrakis(copper(1+));tetrakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine) (PubChem CID 139179596) has the molecular formula C48H32Cu4N20 and a molecular weight of 1143.11 g/mol. Its IUPAC name is tetrakis(copper(1+));tetrakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine).

Molecular Properties

Compound Nametetrakis(copper(1+));tetrakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine)
PubChem CID139179596
Molecular FormulaC48H32Cu4N20
Molecular Weight1143.11 g/mol
Exact Mass1140.03
IUPAC Nametetrakis(copper(1+));tetrakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine)
SMILES[Cu+].[Cu+].[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
InChIInChI=1S/4C12H8N5.4Cu/c4*1-3-7-13-9(5-1)11-15-12(17-16-11)10-6-2-4-8-14-10;;;;/h4*1-8H;;;;/q4*-1;4*+1
InChIKeyIVJMKGMPPFDOTK-UHFFFAOYSA-N
XLogP6.22
TPSA262.64 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001143.11
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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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
CID 168338209
Tetrakis(bis(pyridin-2-ylmethyl)azanide);bis(iron(2+))
CID 139115232
bis(4,5-dimethyl-1-phenyl-3-phenyl-2H-imidazol-1-ium-2-ide);iridium;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738246
iridium;bis(1-phenyl-3-phenyl-2H-imidazol-1-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 57738549
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(1-[(2,5-difluorobenzene-6-id-1-yl)methyl]pyrazole);iridium(3+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 58567834
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium;5-(5-phenyl-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl)-2-(trifluoromethyl)pyridine
CID 58771571
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
1,3-Difluorobenzene-5-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium(3+);pyridine;5-(5-pyridin-2-yl-2,4-diaza-1-azanidacyclopenta-2,4-dien-3-yl)-2-(trifluoromethyl)pyridine
CID 58771579

Frequently Asked Questions

What is the IUPAC name of tetrakis(copper(1+));tetrakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine)?
The IUPAC name of tetrakis(copper(1+));tetrakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine) (CID 139179596) is tetrakis(copper(1+));tetrakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine).
What is the SMILES notation for tetrakis(copper(1+));tetrakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine)?
The canonical SMILES for tetrakis(copper(1+));tetrakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine) is [Cu+].[Cu+].[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.
What is the InChIKey of tetrakis(copper(1+));tetrakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine)?
The InChIKey is IVJMKGMPPFDOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H8N5.4Cu/c4*1-3-7-13-9(5-1)11-15-12(17-16-11)10-6-2-4-8-14-10;;;;/h4*1-8H;;;;/q4*-1;4*+1.
What are the key properties of tetrakis(copper(1+));tetrakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine)?
tetrakis(copper(1+));tetrakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine) has a molecular weight of 1143.11 g/mol, XLogP of 6.22, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(copper(1+));tetrakis(2-(5-pyridin-2-yl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine) is sourced from PubChem (CID 139179596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).