1-(2,6-dimethylphenyl)-2-(4-methylbenzene-6-id-1-yl)imidazole;iridium

C18H17IrN2- — CID 58750753

IUPAC1-(2,6-dimethylphenyl)-2-(4-methylbenzene-6-id-1-yl)imidazole;iridium
SMILESCc1c[c-]c(-c2nccn2-c2c(C)cccc2C)cc1.[Ir]
InChIInChI=1S/C18H17N2.Ir/c1-13-7-9-16(10-8-13)18-19-11-12-20(18)17-14(2)5-4-6-15(17)3;/h4-9,11-12H,1-3H3;/q-1;
InChIKeyXCVVTTDIFFJDET-UHFFFAOYSA-N
MW453.57 g/mol
LogP4.26
Rot. Bonds2

About 1-(2,6-dimethylphenyl)-2-(4-methylbenzene-6-id-1-yl)imidazole;iridium

1-(2,6-dimethylphenyl)-2-(4-methylbenzene-6-id-1-yl)imidazole;iridium (PubChem CID 58750753) has the molecular formula C18H17IrN2- and a molecular weight of 453.57 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-2-(4-methylbenzene-6-id-1-yl)imidazole;iridium.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-2-(4-methylbenzene-6-id-1-yl)imidazole;iridium
PubChem CID58750753
Molecular FormulaC18H17IrN2-
Molecular Weight453.57 g/mol
Exact Mass454.10
IUPAC Name1-(2,6-dimethylphenyl)-2-(4-methylbenzene-6-id-1-yl)imidazole;iridium
SMILESCc1c[c-]c(-c2nccn2-c2c(C)cccc2C)cc1.[Ir]
InChIInChI=1S/C18H17N2.Ir/c1-13-7-9-16(10-8-13)18-19-11-12-20(18)17-14(2)5-4-6-15(17)3;/h4-9,11-12H,1-3H3;/q-1;
InChIKeyXCVVTTDIFFJDET-UHFFFAOYSA-N
XLogP4.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dimethylphenyl)-2-phenylimidazole;platinum
CID 58162919
2-(3-bromo-4-methoxybenzene-6-id-1-yl)-1-(2,6-dimethylphenyl)imidazole;iridium
CID 58947306
butan-2-ol;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium
CID 155610263
1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium;2-phenylquinoline
CID 140663295
iridium;oxalic acid;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
CID 153499828
iridium;9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide
CID 59171953
1-(2,6-dimethyl-4-phenoxyphenyl)-2-phenylimidazole;iridium
CID 58947249
2-(3,6-dihydro-2H-1-benzofuran-6-id-5-yl)-1-(2-methyl-6-phenylphenyl)imidazole;iridium
CID 58947574
1-[2-methyl-6-(trideuteriomethyl)phenyl]-2-phenylimidazole
CID 158537931
iridium;2-(3-isocyanobenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole
CID 58947288
iridium(3+);1-phenylpyrazole;1-(2,4,6-trimethylphenyl)-2-[4-[[3-[[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxymethyl]phenyl]methoxy]benzene-6-id-1-yl]imidazole
CID 158228680
2-(2,4-difluoro-6-methylphenyl)-1-(2,6-dimethylphenyl)imidazole
CID 163593022

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-2-(4-methylbenzene-6-id-1-yl)imidazole;iridium?
The IUPAC name of 1-(2,6-dimethylphenyl)-2-(4-methylbenzene-6-id-1-yl)imidazole;iridium (CID 58750753) is 1-(2,6-dimethylphenyl)-2-(4-methylbenzene-6-id-1-yl)imidazole;iridium.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-2-(4-methylbenzene-6-id-1-yl)imidazole;iridium?
The canonical SMILES for 1-(2,6-dimethylphenyl)-2-(4-methylbenzene-6-id-1-yl)imidazole;iridium is Cc1c[c-]c(-c2nccn2-c2c(C)cccc2C)cc1.[Ir].
What is the InChIKey of 1-(2,6-dimethylphenyl)-2-(4-methylbenzene-6-id-1-yl)imidazole;iridium?
The InChIKey is XCVVTTDIFFJDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N2.Ir/c1-13-7-9-16(10-8-13)18-19-11-12-20(18)17-14(2)5-4-6-15(17)3;/h4-9,11-12H,1-3H3;/q-1;.
What are the key properties of 1-(2,6-dimethylphenyl)-2-(4-methylbenzene-6-id-1-yl)imidazole;iridium?
1-(2,6-dimethylphenyl)-2-(4-methylbenzene-6-id-1-yl)imidazole;iridium has a molecular weight of 453.57 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-2-(4-methylbenzene-6-id-1-yl)imidazole;iridium is sourced from PubChem (CID 58750753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).