dicopper;bis(1,10-phenanthroline);tetracyanate

C28H16Cu2N8O4 — CID 139054928

IUPACdicopper;bis(1,10-phenanthroline);tetracyanate
SMILESN#C[O-].N#C[O-].N#C[O-].N#C[O-].[Cu+2].[Cu+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.4CHNO.2Cu/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4*2-1-3;;/h2*1-8H;4*3H;;/q;;;;;;2*+2/p-4
InChIKeyYQOBVWGXEVNCMT-UHFFFAOYSA-J
MW655.58 g/mol
LogP0.87
Rot. Bonds

About dicopper;bis(1,10-phenanthroline);tetracyanate

dicopper;bis(1,10-phenanthroline);tetracyanate (PubChem CID 139054928) has the molecular formula C28H16Cu2N8O4 and a molecular weight of 655.58 g/mol. Its IUPAC name is dicopper;bis(1,10-phenanthroline);tetracyanate.

Molecular Properties

Compound Namedicopper;bis(1,10-phenanthroline);tetracyanate
PubChem CID139054928
Molecular FormulaC28H16Cu2N8O4
Molecular Weight655.58 g/mol
Exact Mass653.99
IUPAC Namedicopper;bis(1,10-phenanthroline);tetracyanate
SMILESN#C[O-].N#C[O-].N#C[O-].N#C[O-].[Cu+2].[Cu+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.4CHNO.2Cu/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4*2-1-3;;/h2*1-8H;4*3H;;/q;;;;;;2*+2/p-4
InChIKeyYQOBVWGXEVNCMT-UHFFFAOYSA-J
XLogP0.87
TPSA238.96 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.58
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4,7-Diphenyl-1,10-phenanthroline
CID 72812
1,10-Phenanthroline ferrous perchlorate
CID 84537
Eilatine
CID 149352
1,10-Phenanthroline ferrous sulfate
CID 84567
9-[9-(beta-Carboline-9-yl)nonyl]-beta-carboline
CID 46223113
9-[5-(beta-Carboline-9-yl)pentyl]-beta-carboline
CID 46223112
Bis(1,10-phenanthroline)copper(2+)
CID 146186
Tris(1,10-phenanthroline)iron(2+)
CID 84602
Pt(Phen)Cl2, 2
CID 3524225
2-[4-[9-[1-(2-Aminoethyl)triazol-4-yl]-1,10-phenanthrolin-2-yl]triazol-1-yl]ethanamine
CID 76310259
3-[4-[9-[1-(3-Aminopropyl)triazol-4-yl]-1,10-phenanthrolin-2-yl]triazol-1-yl]propan-1-amine
CID 76321216
4-[4-[9-[1-(4-Aminobutyl)triazol-4-yl]-1,10-phenanthrolin-2-yl]triazol-1-yl]butan-1-amine
CID 76321217

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(1,10-phenanthroline);tetracyanate?
The IUPAC name of dicopper;bis(1,10-phenanthroline);tetracyanate (CID 139054928) is dicopper;bis(1,10-phenanthroline);tetracyanate.
What is the SMILES notation for dicopper;bis(1,10-phenanthroline);tetracyanate?
The canonical SMILES for dicopper;bis(1,10-phenanthroline);tetracyanate is N#C[O-].N#C[O-].N#C[O-].N#C[O-].[Cu+2].[Cu+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of dicopper;bis(1,10-phenanthroline);tetracyanate?
The InChIKey is YQOBVWGXEVNCMT-UHFFFAOYSA-J. The full InChI is InChI=1S/2C12H8N2.4CHNO.2Cu/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4*2-1-3;;/h2*1-8H;4*3H;;/q;;;;;;2*+2/p-4.
What are the key properties of dicopper;bis(1,10-phenanthroline);tetracyanate?
dicopper;bis(1,10-phenanthroline);tetracyanate has a molecular weight of 655.58 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(1,10-phenanthroline);tetracyanate is sourced from PubChem (CID 139054928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).