4-(2,6-dimethyl-4-phenylphenyl)-3-methyl-1-phenyl-2H-imidazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-oxazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-thiazol-2-ide;tetrakis(iridium)

C92H77Ir4N6O2S-7 — CID 158694713

IUPAC4-(2,6-dimethyl-4-phenylphenyl)-3-methyl-1-phenyl-2H-imidazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-oxazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-thiazol-2-ide;tetrakis(iridium)
SMILESCc1cc(-c2ccccc2)cc(C)c1-c1nc(-c2[c-]cccc2)no1.Cc1cc(-c2ccccc2)cc(C)c1C1=CN(c2[c-]cccc2)[CH-]N1C.Cc1cc(-c2ccccc2)cc(C)c1C1=CN(c2[c-]cccc2)[CH-]O1.Cc1cc(-c2ccccc2)cc(C)c1C1=CN(c2[c-]cccc2)[CH-]S1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C24H22N2.C23H19NO.C23H19NS.C22H17N2O.4Ir/c1-18-14-21(20-10-6-4-7-11-20)15-19(2)24(18)23-16-26(17-25(23)3)22-12-8-5-9-13-22;2*1-17-13-20(19-9-5-3-6-10-19)14-18(2)23(17)22-15-24(16-25-22)21-11-7-4-8-12-21;1-15-13-19(17-9-5-3-6-10-17)14-16(2)20(15)22-23-21(24-25-22)18-11-7-4-8-12-18;;;;/h4-12,14-17H,1-3H3;2*3-11,13-16H,1-2H3;3-11,13-14H,1-2H3;;;;/q3*-2;-1;;;;
InChIKeyHKHRXOHXESTBEA-UHFFFAOYSA-N
MW2099.60 g/mol
LogP23.28
Rot. Bonds12

About 4-(2,6-dimethyl-4-phenylphenyl)-3-methyl-1-phenyl-2H-imidazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-oxazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-thiazol-2-ide;tetrakis(iridium)

4-(2,6-dimethyl-4-phenylphenyl)-3-methyl-1-phenyl-2H-imidazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-oxazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-thiazol-2-ide;tetrakis(iridium) (PubChem CID 158694713) has the molecular formula C92H77Ir4N6O2S-7 and a molecular weight of 2099.60 g/mol. Its IUPAC name is 4-(2,6-dimethyl-4-phenylphenyl)-3-methyl-1-phenyl-2H-imidazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-oxazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-thiazol-2-ide;tetrakis(iridium).

Molecular Properties

Compound Name4-(2,6-dimethyl-4-phenylphenyl)-3-methyl-1-phenyl-2H-imidazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-oxazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-thiazol-2-ide;tetrakis(iridium)
PubChem CID158694713
Molecular FormulaC92H77Ir4N6O2S-7
Molecular Weight2099.60 g/mol
Exact Mass2101.44
IUPAC Name4-(2,6-dimethyl-4-phenylphenyl)-3-methyl-1-phenyl-2H-imidazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-oxazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-thiazol-2-ide;tetrakis(iridium)
SMILESCc1cc(-c2ccccc2)cc(C)c1-c1nc(-c2[c-]cccc2)no1.Cc1cc(-c2ccccc2)cc(C)c1C1=CN(c2[c-]cccc2)[CH-]N1C.Cc1cc(-c2ccccc2)cc(C)c1C1=CN(c2[c-]cccc2)[CH-]O1.Cc1cc(-c2ccccc2)cc(C)c1C1=CN(c2[c-]cccc2)[CH-]S1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C24H22N2.C23H19NO.C23H19NS.C22H17N2O.4Ir/c1-18-14-21(20-10-6-4-7-11-20)15-19(2)24(18)23-16-26(17-25(23)3)22-12-8-5-9-13-22;2*1-17-13-20(19-9-5-3-6-10-19)14-18(2)23(17)22-15-24(16-25-22)21-11-7-4-8-12-21;1-15-13-19(17-9-5-3-6-10-17)14-16(2)20(15)22-23-21(24-25-22)18-11-7-4-8-12-18;;;;/h4-12,14-17H,1-3H3;2*3-11,13-16H,1-2H3;3-11,13-14H,1-2H3;;;;/q3*-2;-1;;;;
InChIKeyHKHRXOHXESTBEA-UHFFFAOYSA-N
XLogP23.28
TPSA61.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002099.60
LogP ≤ 523.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-(2,6-dimethyl-4-phenylphenyl)-3-methyl-1-phenyl-2H-imidazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-oxazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-thiazol-2-ide;tetrakis(iridium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-4-phenylphenyl)-3-methyl-1-phenyl-2H-imidazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-oxazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-thiazol-2-ide;tetrakis(iridium)?
The IUPAC name of 4-(2,6-dimethyl-4-phenylphenyl)-3-methyl-1-phenyl-2H-imidazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-oxazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-thiazol-2-ide;tetrakis(iridium) (CID 158694713) is 4-(2,6-dimethyl-4-phenylphenyl)-3-methyl-1-phenyl-2H-imidazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-oxazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-thiazol-2-ide;tetrakis(iridium).
What is the SMILES notation for 4-(2,6-dimethyl-4-phenylphenyl)-3-methyl-1-phenyl-2H-imidazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-oxazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-thiazol-2-ide;tetrakis(iridium)?
The canonical SMILES for 4-(2,6-dimethyl-4-phenylphenyl)-3-methyl-1-phenyl-2H-imidazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-oxazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-thiazol-2-ide;tetrakis(iridium) is Cc1cc(-c2ccccc2)cc(C)c1-c1nc(-c2[c-]cccc2)no1.Cc1cc(-c2ccccc2)cc(C)c1C1=CN(c2[c-]cccc2)[CH-]N1C.Cc1cc(-c2ccccc2)cc(C)c1C1=CN(c2[c-]cccc2)[CH-]O1.Cc1cc(-c2ccccc2)cc(C)c1C1=CN(c2[c-]cccc2)[CH-]S1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 4-(2,6-dimethyl-4-phenylphenyl)-3-methyl-1-phenyl-2H-imidazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-oxazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-thiazol-2-ide;tetrakis(iridium)?
The InChIKey is HKHRXOHXESTBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2.C23H19NO.C23H19NS.C22H17N2O.4Ir/c1-18-14-21(20-10-6-4-7-11-20)15-19(2)24(18)23-16-26(17-25(23)3)22-12-8-5-9-13-22;2*1-17-13-20(19-9-5-3-6-10-19)14-18(2)23(17)22-15-24(16-25-22)21-11-7-4-8-12-21;1-15-13-19(17-9-5-3-6-10-17)14-16(2)20(15)22-23-21(24-25-22)18-11-7-4-8-12-18;;;;/h4-12,14-17H,1-3H3;2*3-11,13-16H,1-2H3;3-11,13-14H,1-2H3;;;;/q3*-2;-1;;;;.
What are the key properties of 4-(2,6-dimethyl-4-phenylphenyl)-3-methyl-1-phenyl-2H-imidazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-oxazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-thiazol-2-ide;tetrakis(iridium)?
4-(2,6-dimethyl-4-phenylphenyl)-3-methyl-1-phenyl-2H-imidazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-oxazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-thiazol-2-ide;tetrakis(iridium) has a molecular weight of 2099.60 g/mol, XLogP of 23.28, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-4-phenylphenyl)-3-methyl-1-phenyl-2H-imidazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-oxazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-thiazol-2-ide;tetrakis(iridium) is sourced from PubChem (CID 158694713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).