1-(2,6-dimethyl-4-phenoxyphenyl)-2-phenylimidazole;iridium

C23H19IrN2O- — CID 58947249

IUPAC1-(2,6-dimethyl-4-phenoxyphenyl)-2-phenylimidazole;iridium
SMILESCc1cc(Oc2ccccc2)cc(C)c1-n1ccnc1-c1[c-]cccc1.[Ir]
InChIInChI=1S/C23H19N2O.Ir/c1-17-15-21(26-20-11-7-4-8-12-20)16-18(2)22(17)25-14-13-24-23(25)19-9-5-3-6-10-19;/h3-9,11-16H,1-2H3;/q-1;
InChIKeyOJEWYBSGKRSRJB-UHFFFAOYSA-N
MW531.64 g/mol
LogP5.75
Rot. Bonds4

About 1-(2,6-dimethyl-4-phenoxyphenyl)-2-phenylimidazole;iridium

1-(2,6-dimethyl-4-phenoxyphenyl)-2-phenylimidazole;iridium (PubChem CID 58947249) has the molecular formula C23H19IrN2O- and a molecular weight of 531.64 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4-phenoxyphenyl)-2-phenylimidazole;iridium.

Molecular Properties

Compound Name1-(2,6-dimethyl-4-phenoxyphenyl)-2-phenylimidazole;iridium
PubChem CID58947249
Molecular FormulaC23H19IrN2O-
Molecular Weight531.64 g/mol
Exact Mass532.11
IUPAC Name1-(2,6-dimethyl-4-phenoxyphenyl)-2-phenylimidazole;iridium
SMILESCc1cc(Oc2ccccc2)cc(C)c1-n1ccnc1-c1[c-]cccc1.[Ir]
InChIInChI=1S/C23H19N2O.Ir/c1-17-15-21(26-20-11-7-4-8-12-20)16-18(2)22(17)25-14-13-24-23(25)19-9-5-3-6-10-19;/h3-9,11-16H,1-2H3;/q-1;
InChIKeyOJEWYBSGKRSRJB-UHFFFAOYSA-N
XLogP5.75
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.64
LogP ≤ 55.75
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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Related Compounds

iridium;oxalic acid;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
CID 153499828
1-(2,6-dimethylphenyl)-2-phenylimidazole;platinum
CID 58162919
butan-2-ol;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium
CID 155610263
iridium(3+);tris(1-phenyl-2-phenylimidazole)
CID 58401377
1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium;2-phenylquinoline
CID 140663295
iridium(3+);tris(1-(4-methoxyphenyl)-2-phenylimidazole)
CID 59348298
tris(1-[2,6-dimethyl-4-(8-methyldibenzofuran-2-yl)phenyl]-2-phenylimidazole);iridium(3+)
CID 58947408
1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-2-phenylimidazole;iridium
CID 59546936
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
deuterium monohydride;1-(2,6-dimethyl-4-phenylphenyl)-2-(3-isocyanobenzene-6-id-1-yl)imidazole;iridium
CID 159668232
1-(2,6-dimethylphenyl)-2-(4-methylbenzene-6-id-1-yl)imidazole;iridium
CID 58750753
tris(1-[2-(2,6-dimethylphenyl)-6-propan-2-ylphenyl]-2-phenylimidazole);iridium(3+)
CID 86292659

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4-phenoxyphenyl)-2-phenylimidazole;iridium?
The IUPAC name of 1-(2,6-dimethyl-4-phenoxyphenyl)-2-phenylimidazole;iridium (CID 58947249) is 1-(2,6-dimethyl-4-phenoxyphenyl)-2-phenylimidazole;iridium.
What is the SMILES notation for 1-(2,6-dimethyl-4-phenoxyphenyl)-2-phenylimidazole;iridium?
The canonical SMILES for 1-(2,6-dimethyl-4-phenoxyphenyl)-2-phenylimidazole;iridium is Cc1cc(Oc2ccccc2)cc(C)c1-n1ccnc1-c1[c-]cccc1.[Ir].
What is the InChIKey of 1-(2,6-dimethyl-4-phenoxyphenyl)-2-phenylimidazole;iridium?
The InChIKey is OJEWYBSGKRSRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N2O.Ir/c1-17-15-21(26-20-11-7-4-8-12-20)16-18(2)22(17)25-14-13-24-23(25)19-9-5-3-6-10-19;/h3-9,11-16H,1-2H3;/q-1;.
What are the key properties of 1-(2,6-dimethyl-4-phenoxyphenyl)-2-phenylimidazole;iridium?
1-(2,6-dimethyl-4-phenoxyphenyl)-2-phenylimidazole;iridium has a molecular weight of 531.64 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-4-phenoxyphenyl)-2-phenylimidazole;iridium is sourced from PubChem (CID 58947249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).