copper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);tetrafluoroborate

C26H16BCuF4N7 — CID 139060418

IUPACcopper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);tetrafluoroborate
SMILESF[B-](F)(F)F.N#CN=C=[N-].[Cu+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.C2N3.BF4.Cu/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3-1-5-2-4;2-1(3,4)5;/h2*1-8H;;;/q;;2*-1;+2
InChIKeyXIZPMAXONZDVEW-UHFFFAOYSA-N
MW576.81 g/mol
LogP7.07
Rot. Bonds

About copper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);tetrafluoroborate

copper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);tetrafluoroborate (PubChem CID 139060418) has the molecular formula C26H16BCuF4N7 and a molecular weight of 576.81 g/mol. Its IUPAC name is copper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);tetrafluoroborate.

Molecular Properties

Compound Namecopper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);tetrafluoroborate
PubChem CID139060418
Molecular FormulaC26H16BCuF4N7
Molecular Weight576.81 g/mol
Exact Mass576.08
IUPAC Namecopper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);tetrafluoroborate
SMILESF[B-](F)(F)F.N#CN=C=[N-].[Cu+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.C2N3.BF4.Cu/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3-1-5-2-4;2-1(3,4)5;/h2*1-8H;;;/q;;2*-1;+2
InChIKeyXIZPMAXONZDVEW-UHFFFAOYSA-N
XLogP7.07
TPSA110.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.81
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze copper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);tetrafluoroborate 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

cadmium(2+);cyanoiminomethylideneazanide;bis(1,10-phenanthroline)
CID 139067914
copper;cyanoiminomethylideneazanide;2,2-dicyanoethenylideneazanide;bis(1,10-phenanthroline)
CID 139055040
dicopper;pentakis(1,10-phenanthroline);dicyanide;diisothiocyanate;hexahydrate
CID 139055219
bis(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate
CID 175753824
CID 58385596
CID 58385596
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
bis(cadmium(2+));bis(chromium(6+));octakis(oxygen(2-));tetrakis(1,10-phenanthroline);dihydrate
CID 139076364

Frequently Asked Questions

What is the IUPAC name of copper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);tetrafluoroborate?
The IUPAC name of copper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);tetrafluoroborate (CID 139060418) is copper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);tetrafluoroborate.
What is the SMILES notation for copper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);tetrafluoroborate?
The canonical SMILES for copper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);tetrafluoroborate is F[B-](F)(F)F.N#CN=C=[N-].[Cu+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of copper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);tetrafluoroborate?
The InChIKey is XIZPMAXONZDVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8N2.C2N3.BF4.Cu/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;3-1-5-2-4;2-1(3,4)5;/h2*1-8H;;;/q;;2*-1;+2.
What are the key properties of copper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);tetrafluoroborate?
copper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);tetrafluoroborate has a molecular weight of 576.81 g/mol, XLogP of 7.07, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);tetrafluoroborate is sourced from PubChem (CID 139060418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).