copper;cyanoiminomethylideneazanide;2,2-dicyanoethenylideneazanide;bis(1,10-phenanthroline)

C30H16CuN10 — CID 139055040

IUPACcopper;cyanoiminomethylideneazanide;2,2-dicyanoethenylideneazanide;bis(1,10-phenanthroline)
SMILESN#CC(=C=[N-])C#N.N#CN=C=[N-].[Cu+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.C4N3.C2N3.Cu/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;5-1-4(2-6)3-7;3-1-5-2-4;/h2*1-8H;;;/q;;2*-1;+2
InChIKeyINTCFCILTLHWBS-UHFFFAOYSA-N
MW580.07 g/mol
LogP5.97
Rot. Bonds

About copper;cyanoiminomethylideneazanide;2,2-dicyanoethenylideneazanide;bis(1,10-phenanthroline)

copper;cyanoiminomethylideneazanide;2,2-dicyanoethenylideneazanide;bis(1,10-phenanthroline) (PubChem CID 139055040) has the molecular formula C30H16CuN10 and a molecular weight of 580.07 g/mol. Its IUPAC name is copper;cyanoiminomethylideneazanide;2,2-dicyanoethenylideneazanide;bis(1,10-phenanthroline).

Molecular Properties

Compound Namecopper;cyanoiminomethylideneazanide;2,2-dicyanoethenylideneazanide;bis(1,10-phenanthroline)
PubChem CID139055040
Molecular FormulaC30H16CuN10
Molecular Weight580.07 g/mol
Exact Mass579.09
IUPAC Namecopper;cyanoiminomethylideneazanide;2,2-dicyanoethenylideneazanide;bis(1,10-phenanthroline)
SMILESN#CC(=C=[N-])C#N.N#CN=C=[N-].[Cu+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.C4N3.C2N3.Cu/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;5-1-4(2-6)3-7;3-1-5-2-4;/h2*1-8H;;;/q;;2*-1;+2
InChIKeyINTCFCILTLHWBS-UHFFFAOYSA-N
XLogP5.97
TPSA179.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.07
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze copper;cyanoiminomethylideneazanide;2,2-dicyanoethenylideneazanide;bis(1,10-phenanthroline) 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;bis(1,10-phenanthroline);tetrafluoroborate
CID 139060418
dicopper;pentakis(1,10-phenanthroline);dicyanide;diisothiocyanate;hexahydrate
CID 139055219
dichlororuthenium;tris(1,10-phenanthroline);hexahydrate
CID 53393580
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
europium;1,10-phenanthroline
CID 20606755
CID 58385596
CID 58385596
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;2,2-dicyanoethenylideneazanide;bis(1,10-phenanthroline)?
The IUPAC name of copper;cyanoiminomethylideneazanide;2,2-dicyanoethenylideneazanide;bis(1,10-phenanthroline) (CID 139055040) is copper;cyanoiminomethylideneazanide;2,2-dicyanoethenylideneazanide;bis(1,10-phenanthroline).
What is the SMILES notation for copper;cyanoiminomethylideneazanide;2,2-dicyanoethenylideneazanide;bis(1,10-phenanthroline)?
The canonical SMILES for copper;cyanoiminomethylideneazanide;2,2-dicyanoethenylideneazanide;bis(1,10-phenanthroline) is N#CC(=C=[N-])C#N.N#CN=C=[N-].[Cu+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of copper;cyanoiminomethylideneazanide;2,2-dicyanoethenylideneazanide;bis(1,10-phenanthroline)?
The InChIKey is INTCFCILTLHWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8N2.C4N3.C2N3.Cu/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;5-1-4(2-6)3-7;3-1-5-2-4;/h2*1-8H;;;/q;;2*-1;+2.
What are the key properties of copper;cyanoiminomethylideneazanide;2,2-dicyanoethenylideneazanide;bis(1,10-phenanthroline)?
copper;cyanoiminomethylideneazanide;2,2-dicyanoethenylideneazanide;bis(1,10-phenanthroline) has a molecular weight of 580.07 g/mol, XLogP of 5.97, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;cyanoiminomethylideneazanide;2,2-dicyanoethenylideneazanide;bis(1,10-phenanthroline) is sourced from PubChem (CID 139055040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).