5-(2,6-dimethylphenyl)-2-[2-(3-methylphenyl)benzene-6-id-1-yl]-1H-imidazole;iridium

C24H21IrN2- — CID 154596246

IUPAC5-(2,6-dimethylphenyl)-2-[2-(3-methylphenyl)benzene-6-id-1-yl]-1H-imidazole;iridium
SMILESCc1cccc(-c2ccc[c-]c2-c2ncc(-c3c(C)cccc3C)[nH]2)c1.[Ir]
InChIInChI=1S/C24H21N2.Ir/c1-16-8-6-11-19(14-16)20-12-4-5-13-21(20)24-25-15-22(26-24)23-17(2)9-7-10-18(23)3;/h4-12,14-15H,1-3H3,(H,25,26);/q-1;
InChIKeyIXJHHYAADLNYAW-UHFFFAOYSA-N
MW529.66 g/mol
LogP6.13
Rot. Bonds3

About 5-(2,6-dimethylphenyl)-2-[2-(3-methylphenyl)benzene-6-id-1-yl]-1H-imidazole;iridium

5-(2,6-dimethylphenyl)-2-[2-(3-methylphenyl)benzene-6-id-1-yl]-1H-imidazole;iridium (PubChem CID 154596246) has the molecular formula C24H21IrN2- and a molecular weight of 529.66 g/mol. Its IUPAC name is 5-(2,6-dimethylphenyl)-2-[2-(3-methylphenyl)benzene-6-id-1-yl]-1H-imidazole;iridium.

Molecular Properties

Compound Name5-(2,6-dimethylphenyl)-2-[2-(3-methylphenyl)benzene-6-id-1-yl]-1H-imidazole;iridium
PubChem CID154596246
Molecular FormulaC24H21IrN2-
Molecular Weight529.66 g/mol
Exact Mass530.13
IUPAC Name5-(2,6-dimethylphenyl)-2-[2-(3-methylphenyl)benzene-6-id-1-yl]-1H-imidazole;iridium
SMILESCc1cccc(-c2ccc[c-]c2-c2ncc(-c3c(C)cccc3C)[nH]2)c1.[Ir]
InChIInChI=1S/C24H21N2.Ir/c1-16-8-6-11-19(14-16)20-12-4-5-13-21(20)24-25-15-22(26-24)23-17(2)9-7-10-18(23)3;/h4-12,14-15H,1-3H3,(H,25,26);/q-1;
InChIKeyIXJHHYAADLNYAW-UHFFFAOYSA-N
XLogP6.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.66
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(3-methylphenyl)-1H-imidazol-2-amine
CID 66202111
3-methyl-2-(5-phenyl-1H-imidazol-2-yl)aniline
CID 61394643
1-(2,6-dimethylphenyl)-5-[5-(2,6-dimethylphenyl)-1H-imidazol-2-yl]-1,2,4-triazole
CID 155613266
2-chloro-5-(3-methylphenyl)-1H-imidazole
CID 105446615
2-chloro-1-methyl-3-(3-methylphenyl)benzene
CID 141199898
8-(3-methylphenyl)-2-(4-methylphenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
CID 23931505
4-methyl-5-(3-methylphenyl)pyridin-2-amine
CID 79730061
2-bromo-5-(3-methylphenyl)-1H-imidazole
CID 105498727
1-methyl-2-[3-[4-[2-(3-methylphenyl)phenyl]phenyl]phenyl]benzene
CID 153455101
1-methyl-2-[2-methyl-6-(3-methylphenyl)phenyl]sulfonyl-3-(3-methylphenyl)benzene
CID 141051968
N-methyl-2-(3-methylphenyl)-1H-imidazol-5-amine
CID 19082365
1,3-dimethyl-5-(3-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene
CID 143743281

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylphenyl)-2-[2-(3-methylphenyl)benzene-6-id-1-yl]-1H-imidazole;iridium?
The IUPAC name of 5-(2,6-dimethylphenyl)-2-[2-(3-methylphenyl)benzene-6-id-1-yl]-1H-imidazole;iridium (CID 154596246) is 5-(2,6-dimethylphenyl)-2-[2-(3-methylphenyl)benzene-6-id-1-yl]-1H-imidazole;iridium.
What is the SMILES notation for 5-(2,6-dimethylphenyl)-2-[2-(3-methylphenyl)benzene-6-id-1-yl]-1H-imidazole;iridium?
The canonical SMILES for 5-(2,6-dimethylphenyl)-2-[2-(3-methylphenyl)benzene-6-id-1-yl]-1H-imidazole;iridium is Cc1cccc(-c2ccc[c-]c2-c2ncc(-c3c(C)cccc3C)[nH]2)c1.[Ir].
What is the InChIKey of 5-(2,6-dimethylphenyl)-2-[2-(3-methylphenyl)benzene-6-id-1-yl]-1H-imidazole;iridium?
The InChIKey is IXJHHYAADLNYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N2.Ir/c1-16-8-6-11-19(14-16)20-12-4-5-13-21(20)24-25-15-22(26-24)23-17(2)9-7-10-18(23)3;/h4-12,14-15H,1-3H3,(H,25,26);/q-1;.
What are the key properties of 5-(2,6-dimethylphenyl)-2-[2-(3-methylphenyl)benzene-6-id-1-yl]-1H-imidazole;iridium?
5-(2,6-dimethylphenyl)-2-[2-(3-methylphenyl)benzene-6-id-1-yl]-1H-imidazole;iridium has a molecular weight of 529.66 g/mol, XLogP of 6.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylphenyl)-2-[2-(3-methylphenyl)benzene-6-id-1-yl]-1H-imidazole;iridium is sourced from PubChem (CID 154596246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).