iridium;oxalic acid;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole

C20H19IrN2O4- — CID 153499828

IUPACiridium;oxalic acid;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
SMILESCc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.O=C(O)C(=O)O.[Ir]
InChIInChI=1S/C18H17N2.C2H2O4.Ir/c1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;3-1(4)2(5)6;/h4-7,9-12H,1-3H3;(H,3,4)(H,5,6);/q-1;;
InChIKeyXSZJRUBIOWMWIQ-UHFFFAOYSA-N
MW543.60 g/mol
LogP3.42
Rot. Bonds2

About iridium;oxalic acid;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole

iridium;oxalic acid;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole (PubChem CID 153499828) has the molecular formula C20H19IrN2O4- and a molecular weight of 543.60 g/mol. Its IUPAC name is iridium;oxalic acid;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole.

Molecular Properties

Compound Nameiridium;oxalic acid;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
PubChem CID153499828
Molecular FormulaC20H19IrN2O4-
Molecular Weight543.60 g/mol
Exact Mass544.10
IUPAC Nameiridium;oxalic acid;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
SMILESCc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.O=C(O)C(=O)O.[Ir]
InChIInChI=1S/C18H17N2.C2H2O4.Ir/c1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;3-1(4)2(5)6;/h4-7,9-12H,1-3H3;(H,3,4)(H,5,6);/q-1;;
InChIKeyXSZJRUBIOWMWIQ-UHFFFAOYSA-N
XLogP3.42
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.60
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze iridium;oxalic acid;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,6-dimethyl-4-phenoxyphenyl)-2-phenylimidazole;iridium
CID 58947249
1-(2,6-dimethylphenyl)-2-phenylimidazole;platinum
CID 58162919
butan-2-ol;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium
CID 155610263
iridium;2-(3-isocyanobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole
CID 58947288
4-hydroxypent-3-en-2-one;tetrakis(iridium);1-methyl-2-phenylimidazole;1-phenoxy-2-phenylimidazole;1-phenyl-2-phenylimidazole;2-phenylpyridine;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;rhodium
CID 159706661
iridium(3+);tris(1-phenyl-2-phenylimidazole)
CID 58401377
tris(1-[2,6-dimethyl-4-(8-methyldibenzofuran-2-yl)phenyl]-2-phenylimidazole);iridium(3+)
CID 58947408
CID 140820138
CID 140820138
1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium;2-phenylquinoline
CID 140663295
3-fluoro-6-(2,4,6-trimethylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide;iridium;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
CID 140604474
CID 59359211
CID 59359211
2-[3,5-di(carbazol-9-yl)phenyl]-4-[3,5-dimethyl-4-(2-phenylimidazol-1-yl)phenyl]hexane-2,4-diol;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)
CID 58947547

Frequently Asked Questions

What is the IUPAC name of iridium;oxalic acid;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole?
The IUPAC name of iridium;oxalic acid;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole (CID 153499828) is iridium;oxalic acid;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole.
What is the SMILES notation for iridium;oxalic acid;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole?
The canonical SMILES for iridium;oxalic acid;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole is Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.O=C(O)C(=O)O.[Ir].
What is the InChIKey of iridium;oxalic acid;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole?
The InChIKey is XSZJRUBIOWMWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N2.C2H2O4.Ir/c1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;3-1(4)2(5)6;/h4-7,9-12H,1-3H3;(H,3,4)(H,5,6);/q-1;;.
What are the key properties of iridium;oxalic acid;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole?
iridium;oxalic acid;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole has a molecular weight of 543.60 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;oxalic acid;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole is sourced from PubChem (CID 153499828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).