[(Z)-2-hydroxyethenyl]-dimethylphosphanium;10H-imidazo[2,1-a]isoquinolin-10-ide;iridium

C15H17IrN2OP — CID 58518111

IUPAC[(Z)-2-hydroxyethenyl]-dimethylphosphanium;10H-imidazo[2,1-a]isoquinolin-10-ide;iridium
SMILESC[PH+](C)/C=C\O.[Ir].[c-]1cccc2ccn3ccnc3c12
InChIInChI=1S/C11H7N2.C4H9OP.Ir/c1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13;1-6(2)4-3-5;/h1-3,5-8H;3-5H,1-2H3;/q-1;;/p+1/b;4-3-;
InChIKeyAFZVIFOEIDVCOT-LWFKIUJUSA-O
MW464.51 g/mol
LogP3.77
Rot. Bonds1

About [(Z)-2-hydroxyethenyl]-dimethylphosphanium;10H-imidazo[2,1-a]isoquinolin-10-ide;iridium

[(Z)-2-hydroxyethenyl]-dimethylphosphanium;10H-imidazo[2,1-a]isoquinolin-10-ide;iridium (PubChem CID 58518111) has the molecular formula C15H17IrN2OP and a molecular weight of 464.51 g/mol. Its IUPAC name is [(Z)-2-hydroxyethenyl]-dimethylphosphanium;10H-imidazo[2,1-a]isoquinolin-10-ide;iridium.

Molecular Properties

Compound Name[(Z)-2-hydroxyethenyl]-dimethylphosphanium;10H-imidazo[2,1-a]isoquinolin-10-ide;iridium
PubChem CID58518111
Molecular FormulaC15H17IrN2OP
Molecular Weight464.51 g/mol
Exact Mass465.07
IUPAC Name[(Z)-2-hydroxyethenyl]-dimethylphosphanium;10H-imidazo[2,1-a]isoquinolin-10-ide;iridium
SMILESC[PH+](C)/C=C\O.[Ir].[c-]1cccc2ccn3ccnc3c12
InChIInChI=1S/C11H7N2.C4H9OP.Ir/c1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13;1-6(2)4-3-5;/h1-3,5-8H;3-5H,1-2H3;/q-1;;/p+1/b;4-3-;
InChIKeyAFZVIFOEIDVCOT-LWFKIUJUSA-O
XLogP3.77
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Iridium;[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]methanol
CID 58113404
iridium;6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide
CID 58517724
[(Z)-2-hydroxyethenyl]-dimethylphosphanium;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum
CID 58517826
iridium;5-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide
CID 58517908
iridium;7-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide
CID 58518116
10H-imidazo[2,1-a]isoquinolin-10-ide;iridium
CID 58761384

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-hydroxyethenyl]-dimethylphosphanium;10H-imidazo[2,1-a]isoquinolin-10-ide;iridium?
The IUPAC name of [(Z)-2-hydroxyethenyl]-dimethylphosphanium;10H-imidazo[2,1-a]isoquinolin-10-ide;iridium (CID 58518111) is [(Z)-2-hydroxyethenyl]-dimethylphosphanium;10H-imidazo[2,1-a]isoquinolin-10-ide;iridium.
What is the SMILES notation for [(Z)-2-hydroxyethenyl]-dimethylphosphanium;10H-imidazo[2,1-a]isoquinolin-10-ide;iridium?
The canonical SMILES for [(Z)-2-hydroxyethenyl]-dimethylphosphanium;10H-imidazo[2,1-a]isoquinolin-10-ide;iridium is C[PH+](C)/C=C\O.[Ir].[c-]1cccc2ccn3ccnc3c12.
What is the InChIKey of [(Z)-2-hydroxyethenyl]-dimethylphosphanium;10H-imidazo[2,1-a]isoquinolin-10-ide;iridium?
The InChIKey is AFZVIFOEIDVCOT-LWFKIUJUSA-O. The full InChI is InChI=1S/C11H7N2.C4H9OP.Ir/c1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13;1-6(2)4-3-5;/h1-3,5-8H;3-5H,1-2H3;/q-1;;/p+1/b;4-3-;.
What are the key properties of [(Z)-2-hydroxyethenyl]-dimethylphosphanium;10H-imidazo[2,1-a]isoquinolin-10-ide;iridium?
[(Z)-2-hydroxyethenyl]-dimethylphosphanium;10H-imidazo[2,1-a]isoquinolin-10-ide;iridium has a molecular weight of 464.51 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-hydroxyethenyl]-dimethylphosphanium;10H-imidazo[2,1-a]isoquinolin-10-ide;iridium is sourced from PubChem (CID 58518111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).