dicopper;octakis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);tetraperchlorate;hydrate

C60H66Cl4Cu2N20O17 — CID 139041411

IUPACdicopper;octakis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);tetraperchlorate;hydrate
SMILESNc1ccncc1.Nc1ccncc1.Nc1ccncc1.Nc1ccncc1.Nc1ccncc1.Nc1ccncc1.Nc1ccncc1.Nc1ccncc1.O.[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(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.8C5H6N2.4ClHO4.2Cu.H2O/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;8*6-5-1-3-7-4-2-5;4*2-1(3,4)5;;;/h2*1-8H;8*1-4H,(H2,6,7);4*(H,2,3,4,5);;;1H2/q;;;;;;;;;;;;;;2*+2;/p-4
InChIKeyVOGVMKFHRVXIDI-UHFFFAOYSA-J
MW1608.21 g/mol
LogP-10.26
Rot. Bonds2

About dicopper;octakis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);tetraperchlorate;hydrate

dicopper;octakis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);tetraperchlorate;hydrate (PubChem CID 139041411) has the molecular formula C60H66Cl4Cu2N20O17 and a molecular weight of 1608.21 g/mol. Its IUPAC name is dicopper;octakis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);tetraperchlorate;hydrate.

Molecular Properties

Compound Namedicopper;octakis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);tetraperchlorate;hydrate
PubChem CID139041411
Molecular FormulaC60H66Cl4Cu2N20O17
Molecular Weight1608.21 g/mol
Exact Mass1604.23
IUPAC Namedicopper;octakis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);tetraperchlorate;hydrate
SMILESNc1ccncc1.Nc1ccncc1.Nc1ccncc1.Nc1ccncc1.Nc1ccncc1.Nc1ccncc1.Nc1ccncc1.Nc1ccncc1.O.[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(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.8C5H6N2.4ClHO4.2Cu.H2O/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;8*6-5-1-3-7-4-2-5;4*2-1(3,4)5;;;/h2*1-8H;8*1-4H,(H2,6,7);4*(H,2,3,4,5);;;1H2/q;;;;;;;;;;;;;;2*+2;/p-4
InChIKeyVOGVMKFHRVXIDI-UHFFFAOYSA-J
XLogP-10.26
TPSA763.30 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds2
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001608.21
LogP ≤ 5-10.26
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

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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) chloride hexahydrate
CID 2724201
Tris(2,2-bipyridyl)ruthenium(II) chloride hexahydrate
CID 16211607
Tris(2,2'-bipyridyl)ruthenium(II) dichloride
CID 44140593
Gold;bis(2-pyridin-2-ylpyridine);dihydrate
CID 71593220
N-(2,6-dipyridin-2-yl-4-pyridinyl)-2,6-dipyridin-2-ylpyridin-4-amine
CID 92131565
cis-Dichlorobis(2,2'-dipyridyl)rhodium(III) chloride
CID 129896657
Tris(2,2'-bipyridyl-N,N')iron(II) diperchlorate
CID 139057872

Frequently Asked Questions

What is the IUPAC name of dicopper;octakis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);tetraperchlorate;hydrate?
The IUPAC name of dicopper;octakis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);tetraperchlorate;hydrate (CID 139041411) is dicopper;octakis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);tetraperchlorate;hydrate.
What is the SMILES notation for dicopper;octakis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);tetraperchlorate;hydrate?
The canonical SMILES for dicopper;octakis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);tetraperchlorate;hydrate is Nc1ccncc1.Nc1ccncc1.Nc1ccncc1.Nc1ccncc1.Nc1ccncc1.Nc1ccncc1.Nc1ccncc1.Nc1ccncc1.O.[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(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of dicopper;octakis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);tetraperchlorate;hydrate?
The InChIKey is VOGVMKFHRVXIDI-UHFFFAOYSA-J. The full InChI is InChI=1S/2C10H8N2.8C5H6N2.4ClHO4.2Cu.H2O/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;8*6-5-1-3-7-4-2-5;4*2-1(3,4)5;;;/h2*1-8H;8*1-4H,(H2,6,7);4*(H,2,3,4,5);;;1H2/q;;;;;;;;;;;;;;2*+2;/p-4.
What are the key properties of dicopper;octakis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);tetraperchlorate;hydrate?
dicopper;octakis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);tetraperchlorate;hydrate has a molecular weight of 1608.21 g/mol, XLogP of -10.26, 2 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;octakis(pyridin-4-amine);bis(2-pyridin-2-ylpyridine);tetraperchlorate;hydrate is sourced from PubChem (CID 139041411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).