IRI

IRIDIUM HEXAMMINE ION

Created:	2001-04-02
Last modified:	2023-09-23

Find Related PDB Entry
39 entries where IRI is found as a standalone ligand1 entries where IRI is covalently linked to polymer or other heterogen groups

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	3
Atom Count	25
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	0

2D diagram of IRI

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	IRIDIUM HEXAMMINE ION
Systematic Name (OpenEye OEToolkits)	hexakis($l^{4}-azanyl)iridium(3+)
Formula	H₁₈ Ir N₆
Molecular Weight	294.4
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	N.N.N.N.N.N.[Ir+3]
SMILES	OpenEye OEToolkits	2.0.7	[NH3][Ir+3]([NH3])([NH3])([NH3])([NH3])[NH3]
Canonical SMILES	CACTVS	3.385	N.N.N.N.N.N.[Ir+3]
Canonical SMILES	OpenEye OEToolkits	2.0.7	[NH3][Ir+3]([NH3])([NH3])([NH3])([NH3])[NH3]
InChI	InChI	1.06	InChI=1S/Ir.6H3N/h;6*1H3/q+3;;;;;;
InChIKey	InChI	1.06	CGMAOQLDNKCXGK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	49867156, 21910296
ChEBI	CHEBI:72451

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.