cadmium(2+);titanium(4+);hexacyanide

C6CdN6Ti — CID 159811272

IUPACcadmium(2+);titanium(4+);hexacyanide
SMILES[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Cd+2].[Ti+4]
InChIInChI=1S/6CN.Cd.Ti/c6*1-2;;/q6*-1;+2;+4
InChIKeyNLBABRCZAOXCEY-UHFFFAOYSA-N
MW316.39 g/mol
LogP0.57
Rot. Bonds

About cadmium(2+);titanium(4+);hexacyanide

cadmium(2+);titanium(4+);hexacyanide (PubChem CID 159811272) has the molecular formula C6CdN6Ti and a molecular weight of 316.39 g/mol. Its IUPAC name is cadmium(2+);titanium(4+);hexacyanide.

Molecular Properties

Compound Namecadmium(2+);titanium(4+);hexacyanide
PubChem CID159811272
Molecular FormulaC6CdN6Ti
Molecular Weight316.39 g/mol
Exact Mass317.87
IUPAC Namecadmium(2+);titanium(4+);hexacyanide
SMILES[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Cd+2].[Ti+4]
InChIInChI=1S/6CN.Cd.Ti/c6*1-2;;/q6*-1;+2;+4
InChIKeyNLBABRCZAOXCEY-UHFFFAOYSA-N
XLogP0.57
TPSA142.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cadmium(2+);titanium(4+);hexacyanide?
The IUPAC name of cadmium(2+);titanium(4+);hexacyanide (CID 159811272) is cadmium(2+);titanium(4+);hexacyanide.
What is the SMILES notation for cadmium(2+);titanium(4+);hexacyanide?
The canonical SMILES for cadmium(2+);titanium(4+);hexacyanide is [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Cd+2].[Ti+4].
What is the InChIKey of cadmium(2+);titanium(4+);hexacyanide?
The InChIKey is NLBABRCZAOXCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/6CN.Cd.Ti/c6*1-2;;/q6*-1;+2;+4.
What are the key properties of cadmium(2+);titanium(4+);hexacyanide?
cadmium(2+);titanium(4+);hexacyanide has a molecular weight of 316.39 g/mol, XLogP of 0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);titanium(4+);hexacyanide is sourced from PubChem (CID 159811272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).