copper;bis(chromium(6+));heptakis(oxygen(2-));bis(2-pyridin-2-ylpyridine)

C20H16Cr2CuN4O7 — CID 139058526

IUPACcopper;bis(chromium(6+));heptakis(oxygen(2-));bis(2-pyridin-2-ylpyridine)
SMILES[Cr+6].[Cr+6].[Cu+2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2Cr.Cu.7O/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;;;;;/h2*1-8H;;;;;;;;;;/q;;2*+6;+2;7*-2
InChIKeyJKYMKQZTBZTHJU-UHFFFAOYSA-N
MW591.91 g/mol
LogP3.45
Rot. Bonds2

About copper;bis(chromium(6+));heptakis(oxygen(2-));bis(2-pyridin-2-ylpyridine)

copper;bis(chromium(6+));heptakis(oxygen(2-));bis(2-pyridin-2-ylpyridine) (PubChem CID 139058526) has the molecular formula C20H16Cr2CuN4O7 and a molecular weight of 591.91 g/mol. Its IUPAC name is copper;bis(chromium(6+));heptakis(oxygen(2-));bis(2-pyridin-2-ylpyridine).

Molecular Properties

Compound Namecopper;bis(chromium(6+));heptakis(oxygen(2-));bis(2-pyridin-2-ylpyridine)
PubChem CID139058526
Molecular FormulaC20H16Cr2CuN4O7
Molecular Weight591.91 g/mol
Exact Mass590.91
IUPAC Namecopper;bis(chromium(6+));heptakis(oxygen(2-));bis(2-pyridin-2-ylpyridine)
SMILES[Cr+6].[Cr+6].[Cu+2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2Cr.Cu.7O/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;;;;;/h2*1-8H;;;;;;;;;;/q;;2*+6;+2;7*-2
InChIKeyJKYMKQZTBZTHJU-UHFFFAOYSA-N
XLogP3.45
TPSA251.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.91
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,N',N'-Tetrakis(2-pyridylmethyl)ethylenediamine
CID 5519
2,3,5,6-Tetrakis(2-pyridyl)pyrazine
CID 3034360
Tris[2,2'-bipyridine]ruthenium dichloride
CID 84353
tris(2,2'-bipyridyl)cobalt(III)
CID 161059
Iron(2+), tris(2,2'-bipyridine-N,N')-, dichloride
CID 203609
Iron, tris(2,2'-bipyridine-kappaN1,kappaN1')-, (OC-6-11)-
CID 3032636
cis-Dichlorobis(2,2'-bipyridine)ruthenium(II) dihydrate
CID 2734543
cis-Bis(2,2'-bipyridyl)dichlororuthenium(II)
CID 6398695
cis-Bis(2,2'-bipyridine)dichlororuthenium(II) hydrate
CID 16211844
2,2':6',2''-Terpyridine Platinum(Ii) Chloride
CID 444486
dichlorobis(2,2'-bipyridyl)chromium(III)
CID 147008
2-[(1S,2S)-1,2-di(piperidin-1-yl)-2-pyridin-2-ylethyl]pyridine
CID 155513551

Frequently Asked Questions

What is the IUPAC name of copper;bis(chromium(6+));heptakis(oxygen(2-));bis(2-pyridin-2-ylpyridine)?
The IUPAC name of copper;bis(chromium(6+));heptakis(oxygen(2-));bis(2-pyridin-2-ylpyridine) (CID 139058526) is copper;bis(chromium(6+));heptakis(oxygen(2-));bis(2-pyridin-2-ylpyridine).
What is the SMILES notation for copper;bis(chromium(6+));heptakis(oxygen(2-));bis(2-pyridin-2-ylpyridine)?
The canonical SMILES for copper;bis(chromium(6+));heptakis(oxygen(2-));bis(2-pyridin-2-ylpyridine) is [Cr+6].[Cr+6].[Cu+2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of copper;bis(chromium(6+));heptakis(oxygen(2-));bis(2-pyridin-2-ylpyridine)?
The InChIKey is JKYMKQZTBZTHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8N2.2Cr.Cu.7O/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;;;;;/h2*1-8H;;;;;;;;;;/q;;2*+6;+2;7*-2.
What are the key properties of copper;bis(chromium(6+));heptakis(oxygen(2-));bis(2-pyridin-2-ylpyridine)?
copper;bis(chromium(6+));heptakis(oxygen(2-));bis(2-pyridin-2-ylpyridine) has a molecular weight of 591.91 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(chromium(6+));heptakis(oxygen(2-));bis(2-pyridin-2-ylpyridine) is sourced from PubChem (CID 139058526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).