cadmium(2+);cyanoiminomethylideneazanide;bis(1,10-phenanthroline)

C28H16CdN10 — CID 139067914

IUPACcadmium(2+);cyanoiminomethylideneazanide;bis(1,10-phenanthroline)
SMILESN#CN=C=[N-].N#CN=C=[N-].[Cd+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2C2N3.Cd/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*3-1-5-2-4;/h2*1-8H;;;/q;;2*-1;+2
InChIKeyWQYDAXZKBOJAAD-UHFFFAOYSA-N
MW604.92 g/mol
LogP5.99
Rot. Bonds

About cadmium(2+);cyanoiminomethylideneazanide;bis(1,10-phenanthroline)

cadmium(2+);cyanoiminomethylideneazanide;bis(1,10-phenanthroline) (PubChem CID 139067914) has the molecular formula C28H16CdN10 and a molecular weight of 604.92 g/mol. Its IUPAC name is cadmium(2+);cyanoiminomethylideneazanide;bis(1,10-phenanthroline).

Molecular Properties

Compound Namecadmium(2+);cyanoiminomethylideneazanide;bis(1,10-phenanthroline)
PubChem CID139067914
Molecular FormulaC28H16CdN10
Molecular Weight604.92 g/mol
Exact Mass606.06
IUPAC Namecadmium(2+);cyanoiminomethylideneazanide;bis(1,10-phenanthroline)
SMILESN#CN=C=[N-].N#CN=C=[N-].[Cd+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2C2N3.Cd/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*3-1-5-2-4;/h2*1-8H;;;/q;;2*-1;+2
InChIKeyWQYDAXZKBOJAAD-UHFFFAOYSA-N
XLogP5.99
TPSA168.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.92
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

copper;cyanoiminomethylideneazanide;bis(1,10-phenanthroline);tetrafluoroborate
CID 139060418
copper;cyanoiminomethylideneazanide;2,2-dicyanoethenylideneazanide;bis(1,10-phenanthroline)
CID 139055040
dicopper;pentakis(1,10-phenanthroline);dicyanide;diisothiocyanate;hexahydrate
CID 139055219
bis(cadmium(2+));bis(chromium(6+));octakis(oxygen(2-));tetrakis(1,10-phenanthroline);dihydrate
CID 139076364
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
1,10-phenanthroline;samarium
CID 174616745
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
iron(2+);bis(1,10-phenanthroline);dicyanide
CID 117059127

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);cyanoiminomethylideneazanide;bis(1,10-phenanthroline)?
The IUPAC name of cadmium(2+);cyanoiminomethylideneazanide;bis(1,10-phenanthroline) (CID 139067914) is cadmium(2+);cyanoiminomethylideneazanide;bis(1,10-phenanthroline).
What is the SMILES notation for cadmium(2+);cyanoiminomethylideneazanide;bis(1,10-phenanthroline)?
The canonical SMILES for cadmium(2+);cyanoiminomethylideneazanide;bis(1,10-phenanthroline) is N#CN=C=[N-].N#CN=C=[N-].[Cd+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of cadmium(2+);cyanoiminomethylideneazanide;bis(1,10-phenanthroline)?
The InChIKey is WQYDAXZKBOJAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8N2.2C2N3.Cd/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*3-1-5-2-4;/h2*1-8H;;;/q;;2*-1;+2.
What are the key properties of cadmium(2+);cyanoiminomethylideneazanide;bis(1,10-phenanthroline)?
cadmium(2+);cyanoiminomethylideneazanide;bis(1,10-phenanthroline) has a molecular weight of 604.92 g/mol, XLogP of 5.99, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);cyanoiminomethylideneazanide;bis(1,10-phenanthroline) is sourced from PubChem (CID 139067914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).