5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenylpyrazole;3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-thiazole;tetrakis(iridium)

C93H77Ir4N7OS-4 — CID 159656612

IUPAC5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenylpyrazole;3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-thiazole;tetrakis(iridium)
SMILESCc1cc(-c2ccccc2)cc(C)c1-c1cc(-c2[c-]cccc2)nn1C.Cc1cc(-c2ccccc2)cc(C)c1-c1cc(-c2[c-]cccc2)no1.Cc1cc(-c2ccccc2)cc(C)c1-c1cc(-c2[c-]cccc2)ns1.Cc1cc(-c2ccccc2)cc(C)c1-c1nnc(-c2[c-]cccc2)n1C.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C24H21N2.C23H20N3.C23H18NO.C23H18NS.4Ir/c1-17-14-21(19-10-6-4-7-11-19)15-18(2)24(17)23-16-22(25-26(23)3)20-12-8-5-9-13-20;1-16-14-20(18-10-6-4-7-11-18)15-17(2)21(16)23-25-24-22(26(23)3)19-12-8-5-9-13-19;2*1-16-13-20(18-9-5-3-6-10-18)14-17(2)23(16)22-15-21(24-25-22)19-11-7-4-8-12-19;;;;/h4-12,14-16H,1-3H3;4-12,14-15H,1-3H3;2*3-11,13-15H,1-2H3;;;;/q4*-1;;;;
InChIKeyGOLSBFYDCJFSRE-UHFFFAOYSA-N
MW2109.62 g/mol
LogP23.72
Rot. Bonds12

About 5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenylpyrazole;3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-thiazole;tetrakis(iridium)

5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenylpyrazole;3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-thiazole;tetrakis(iridium) (PubChem CID 159656612) has the molecular formula C93H77Ir4N7OS-4 and a molecular weight of 2109.62 g/mol. Its IUPAC name is 5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenylpyrazole;3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-thiazole;tetrakis(iridium).

Molecular Properties

Compound Name5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenylpyrazole;3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-thiazole;tetrakis(iridium)
PubChem CID159656612
Molecular FormulaC93H77Ir4N7OS-4
Molecular Weight2109.62 g/mol
Exact Mass2111.44
IUPAC Name5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenylpyrazole;3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-thiazole;tetrakis(iridium)
SMILESCc1cc(-c2ccccc2)cc(C)c1-c1cc(-c2[c-]cccc2)nn1C.Cc1cc(-c2ccccc2)cc(C)c1-c1cc(-c2[c-]cccc2)no1.Cc1cc(-c2ccccc2)cc(C)c1-c1cc(-c2[c-]cccc2)ns1.Cc1cc(-c2ccccc2)cc(C)c1-c1nnc(-c2[c-]cccc2)n1C.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C24H21N2.C23H20N3.C23H18NO.C23H18NS.4Ir/c1-17-14-21(19-10-6-4-7-11-19)15-18(2)24(17)23-16-22(25-26(23)3)20-12-8-5-9-13-20;1-16-14-20(18-10-6-4-7-11-18)15-17(2)21(16)23-25-24-22(26(23)3)19-12-8-5-9-13-19;2*1-16-13-20(18-9-5-3-6-10-18)14-17(2)23(16)22-15-21(24-25-22)19-11-7-4-8-12-19;;;;/h4-12,14-16H,1-3H3;4-12,14-15H,1-3H3;2*3-11,13-15H,1-2H3;;;;/q4*-1;;;;
InChIKeyGOLSBFYDCJFSRE-UHFFFAOYSA-N
XLogP23.72
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002109.62
LogP ≤ 523.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenylpyrazole;3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-thiazole;tetrakis(iridium) with MolForge

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Related Compounds

3-(2,6-Dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;2-(2,6-dimethyl-4-phenylphenyl)-5-phenyl-1,3,4-thiadiazole;tetrakis(iridium)
CID 158249788
3-methyl-1-phenyl-4-(4-phenylphenyl)-2H-imidazol-2-ide;1-methyl-3-phenyl-5-(4-phenylphenyl)pyrazole;3-phenyl-5-(4-phenylphenyl)-1,2-oxazole;3-phenyl-5-(4-phenylphenyl)-1,2-thiazole;platinum;tris(platinum(2+))
CID 159300782
4-(2,6-dimethyl-4-phenylphenyl)-3-methyl-1-phenyl-2H-imidazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenylpyrazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-oxazol-2-ide;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-thiadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-thiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-thiazol-2-ide;octakis(iridium)
CID 159395387

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenylpyrazole;3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-thiazole;tetrakis(iridium)?
The IUPAC name of 5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenylpyrazole;3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-thiazole;tetrakis(iridium) (CID 159656612) is 5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenylpyrazole;3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-thiazole;tetrakis(iridium).
What is the SMILES notation for 5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenylpyrazole;3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-thiazole;tetrakis(iridium)?
The canonical SMILES for 5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenylpyrazole;3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-thiazole;tetrakis(iridium) is Cc1cc(-c2ccccc2)cc(C)c1-c1cc(-c2[c-]cccc2)nn1C.Cc1cc(-c2ccccc2)cc(C)c1-c1cc(-c2[c-]cccc2)no1.Cc1cc(-c2ccccc2)cc(C)c1-c1cc(-c2[c-]cccc2)ns1.Cc1cc(-c2ccccc2)cc(C)c1-c1nnc(-c2[c-]cccc2)n1C.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenylpyrazole;3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-thiazole;tetrakis(iridium)?
The InChIKey is GOLSBFYDCJFSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N2.C23H20N3.C23H18NO.C23H18NS.4Ir/c1-17-14-21(19-10-6-4-7-11-19)15-18(2)24(17)23-16-22(25-26(23)3)20-12-8-5-9-13-20;1-16-14-20(18-10-6-4-7-11-18)15-17(2)21(16)23-25-24-22(26(23)3)19-12-8-5-9-13-19;2*1-16-13-20(18-9-5-3-6-10-18)14-17(2)23(16)22-15-21(24-25-22)19-11-7-4-8-12-19;;;;/h4-12,14-16H,1-3H3;4-12,14-15H,1-3H3;2*3-11,13-15H,1-2H3;;;;/q4*-1;;;;.
What are the key properties of 5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenylpyrazole;3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-thiazole;tetrakis(iridium)?
5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenylpyrazole;3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-thiazole;tetrakis(iridium) has a molecular weight of 2109.62 g/mol, XLogP of 23.72, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenylpyrazole;3-(2,6-dimethyl-4-phenylphenyl)-4-methyl-5-phenyl-1,2,4-triazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-oxazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2-thiazole;tetrakis(iridium) is sourced from PubChem (CID 159656612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).