dicopper;bis(2-pyridin-2-ylpyridine);tetracyanate

C24H16Cu2N8O4 — CID 139053876

IUPACdicopper;bis(2-pyridin-2-ylpyridine);tetracyanate
SMILESN#C[O-].N#C[O-].N#C[O-].N#C[O-].[Cu+2].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.4CHNO.2Cu/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*2-1-3;;/h2*1-8H;4*3H;;/q;;;;;;2*+2/p-4
InChIKeyDFBPVCDWPHRPCE-UHFFFAOYSA-J
MW607.54 g/mol
LogP-0.41
Rot. Bonds2

About dicopper;bis(2-pyridin-2-ylpyridine);tetracyanate

dicopper;bis(2-pyridin-2-ylpyridine);tetracyanate (PubChem CID 139053876) has the molecular formula C24H16Cu2N8O4 and a molecular weight of 607.54 g/mol. Its IUPAC name is dicopper;bis(2-pyridin-2-ylpyridine);tetracyanate.

Molecular Properties

Compound Namedicopper;bis(2-pyridin-2-ylpyridine);tetracyanate
PubChem CID139053876
Molecular FormulaC24H16Cu2N8O4
Molecular Weight607.54 g/mol
Exact Mass605.99
IUPAC Namedicopper;bis(2-pyridin-2-ylpyridine);tetracyanate
SMILESN#C[O-].N#C[O-].N#C[O-].N#C[O-].[Cu+2].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.4CHNO.2Cu/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*2-1-3;;/h2*1-8H;4*3H;;/q;;;;;;2*+2/p-4
InChIKeyDFBPVCDWPHRPCE-UHFFFAOYSA-J
XLogP-0.41
TPSA238.96 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.54
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze dicopper;bis(2-pyridin-2-ylpyridine);tetracyanate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N,N',N'-Tetrakis(2-pyridylmethyl)ethylenediamine
CID 5519
tris(2,2'-bipyridyl)cobalt(III)
CID 161059
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
1H-1,4,7-Triazonine, octahydro-1,4,7-tris(2-pyridinylmethyl)-
CID 12146755
Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
Iron(2+), tris(2,2'-bipyridine-kappaN1,kappaN1')-, (OC-6-11)-, perchlorate (1:2)
CID 84889
Tris(2,2'-bipyridyl)-Fe(II) complex
CID 193497

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(2-pyridin-2-ylpyridine);tetracyanate?
The IUPAC name of dicopper;bis(2-pyridin-2-ylpyridine);tetracyanate (CID 139053876) is dicopper;bis(2-pyridin-2-ylpyridine);tetracyanate.
What is the SMILES notation for dicopper;bis(2-pyridin-2-ylpyridine);tetracyanate?
The canonical SMILES for dicopper;bis(2-pyridin-2-ylpyridine);tetracyanate is N#C[O-].N#C[O-].N#C[O-].N#C[O-].[Cu+2].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of dicopper;bis(2-pyridin-2-ylpyridine);tetracyanate?
The InChIKey is DFBPVCDWPHRPCE-UHFFFAOYSA-J. The full InChI is InChI=1S/2C10H8N2.4CHNO.2Cu/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*2-1-3;;/h2*1-8H;4*3H;;/q;;;;;;2*+2/p-4.
What are the key properties of dicopper;bis(2-pyridin-2-ylpyridine);tetracyanate?
dicopper;bis(2-pyridin-2-ylpyridine);tetracyanate has a molecular weight of 607.54 g/mol, XLogP of -0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(2-pyridin-2-ylpyridine);tetracyanate is sourced from PubChem (CID 139053876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).