iridium tricyanide

C3IrN3-3 — CID 148548482

IUPACiridium tricyanide
SMILES[C-]#N.[C-]#N.[C-]#N.[Ir]
InChIInChI=1S/3CN.Ir/c3*1-2;/q3*-1;
InChIKeyWZUMNDCIPNMTGN-UHFFFAOYSA-N
MW270.27 g/mol
LogP0.29
Rot. Bonds

About iridium tricyanide

iridium tricyanide (PubChem CID 148548482) has the molecular formula C3IrN3-3 and a molecular weight of 270.27 g/mol. Its IUPAC name is iridium tricyanide.

Molecular Properties

Compound Nameiridium tricyanide
PubChem CID148548482
Molecular FormulaC3IrN3-3
Molecular Weight270.27 g/mol
Exact Mass270.97
IUPAC Nameiridium tricyanide
SMILES[C-]#N.[C-]#N.[C-]#N.[Ir]
InChIInChI=1S/3CN.Ir/c3*1-2;/q3*-1;
InChIKeyWZUMNDCIPNMTGN-UHFFFAOYSA-N
XLogP0.29
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 iridium tricyanide?
The IUPAC name of iridium tricyanide (CID 148548482) is iridium tricyanide.
What is the SMILES notation for iridium tricyanide?
The canonical SMILES for iridium tricyanide is [C-]#N.[C-]#N.[C-]#N.[Ir].
What is the InChIKey of iridium tricyanide?
The InChIKey is WZUMNDCIPNMTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/3CN.Ir/c3*1-2;/q3*-1;.
What are the key properties of iridium tricyanide?
iridium tricyanide has a molecular weight of 270.27 g/mol, XLogP of 0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium tricyanide is sourced from PubChem (CID 148548482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).