dicopper;bis(3,6-dipyridin-2-ylpyridazine);tetraperchlorate

C28H20Cl4Cu2N8O16 — CID 139146367

IUPACdicopper;bis(3,6-dipyridin-2-ylpyridazine);tetraperchlorate
SMILES[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccc(-c3ccccn3)nn2)nc1.c1ccc(-c2ccc(-c3ccccn3)nn2)nc1
InChIInChI=1S/2C14H10N4.4ClHO4.2Cu/c2*1-3-9-15-11(5-1)13-7-8-14(18-17-13)12-6-2-4-10-16-12;4*2-1(3,4)5;;/h2*1-10H;4*(H,2,3,4,5);;/q;;;;;;2*+2/p-4
InChIKeyOFNRNGQJXFNEBO-UHFFFAOYSA-J
MW993.41 g/mol
LogP-13.83
Rot. Bonds4

About dicopper;bis(3,6-dipyridin-2-ylpyridazine);tetraperchlorate

dicopper;bis(3,6-dipyridin-2-ylpyridazine);tetraperchlorate (PubChem CID 139146367) has the molecular formula C28H20Cl4Cu2N8O16 and a molecular weight of 993.41 g/mol. Its IUPAC name is dicopper;bis(3,6-dipyridin-2-ylpyridazine);tetraperchlorate.

Molecular Properties

Compound Namedicopper;bis(3,6-dipyridin-2-ylpyridazine);tetraperchlorate
PubChem CID139146367
Molecular FormulaC28H20Cl4Cu2N8O16
Molecular Weight993.41 g/mol
Exact Mass989.83
IUPAC Namedicopper;bis(3,6-dipyridin-2-ylpyridazine);tetraperchlorate
SMILES[Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccc(-c3ccccn3)nn2)nc1.c1ccc(-c2ccc(-c3ccccn3)nn2)nc1
InChIInChI=1S/2C14H10N4.4ClHO4.2Cu/c2*1-3-9-15-11(5-1)13-7-8-14(18-17-13)12-6-2-4-10-16-12;4*2-1(3,4)5;;/h2*1-10H;4*(H,2,3,4,5);;/q;;;;;;2*+2/p-4
InChIKeyOFNRNGQJXFNEBO-UHFFFAOYSA-J
XLogP-13.83
TPSA472.08 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500993.41
LogP ≤ 5-13.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

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Related Compounds

Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
Tris(2,2'-bipyridine)nickel dichloride
CID 72193962
tris(2,2'-bipyridyl)dichlororuthenium(II) hexahydrate
CID 172897992
tris(2,2'-bipyridine)iron(II)
CID 6857601
tris(2,2'-bipyridine)ruthenium(II)
CID 44176403
Tris(2,2'-bipyridyl)ruthenium(II) dichloride
CID 44140593
Tris(2,2'-bipyridyl-N,N')iron(II) diperchlorate
CID 139057872
bis(2,2'-bipyridine-kappa^2^N,N')platinum(II) bis(perchlorate)
CID 139068505
Tris(2,2'-bipyridine)diperchloratoruthenium
CID 139144531
Osmium(2+);tris(2-pyridin-2-ylpyridine)
CID 169409983
ron(2+), tris(4,4a(2)-dimethyl-2,2a(2)-bipyridine-I masculineN1,I masculineN1a(2))-, (OC-6-11)-, perchlorate (1:2)
CID 165360862
Tris(2,2a(2)-bipyridine)ruthenium(2+)
CID 3939621

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(3,6-dipyridin-2-ylpyridazine);tetraperchlorate?
The IUPAC name of dicopper;bis(3,6-dipyridin-2-ylpyridazine);tetraperchlorate (CID 139146367) is dicopper;bis(3,6-dipyridin-2-ylpyridazine);tetraperchlorate.
What is the SMILES notation for dicopper;bis(3,6-dipyridin-2-ylpyridazine);tetraperchlorate?
The canonical SMILES for dicopper;bis(3,6-dipyridin-2-ylpyridazine);tetraperchlorate is [Cu+2].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccc(-c3ccccn3)nn2)nc1.c1ccc(-c2ccc(-c3ccccn3)nn2)nc1.
What is the InChIKey of dicopper;bis(3,6-dipyridin-2-ylpyridazine);tetraperchlorate?
The InChIKey is OFNRNGQJXFNEBO-UHFFFAOYSA-J. The full InChI is InChI=1S/2C14H10N4.4ClHO4.2Cu/c2*1-3-9-15-11(5-1)13-7-8-14(18-17-13)12-6-2-4-10-16-12;4*2-1(3,4)5;;/h2*1-10H;4*(H,2,3,4,5);;/q;;;;;;2*+2/p-4.
What are the key properties of dicopper;bis(3,6-dipyridin-2-ylpyridazine);tetraperchlorate?
dicopper;bis(3,6-dipyridin-2-ylpyridazine);tetraperchlorate has a molecular weight of 993.41 g/mol, XLogP of -13.83, 4 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(3,6-dipyridin-2-ylpyridazine);tetraperchlorate is sourced from PubChem (CID 139146367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).