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

C90H73Ir4N8OS2-5 — CID 159824395

IUPAC5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenyl-1,2,4-triazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-thiadiazole;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)nn1C.Cc1cc(-c2ccccc2)cc(C)c1-c1nc(-c2[c-]cccc2)no1.Cc1cc(-c2ccccc2)cc(C)c1-c1nc(-c2[c-]cccc2)ns1.Cc1cc(-c2ccccc2)cc(C)c1C1=CN(c2[c-]cccc2)[CH-]S1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C23H20N3.C23H19NS.C22H17N2O.C22H17N2S.4Ir/c1-16-14-20(18-10-6-4-7-11-18)15-17(2)21(16)23-24-22(25-26(23)3)19-12-8-5-9-13-19;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;2*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;;;;/h4-12,14-15H,1-3H3;3-11,13-16H,1-2H3;2*3-11,13-14H,1-2H3;;;;/q-1;-2;2*-1;;;;
InChIKeyXWJJECQIBOKMFB-UHFFFAOYSA-N
MW2115.63 g/mol
LogP23.11
Rot. Bonds12

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

5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenyl-1,2,4-triazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-thiadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-thiazol-2-ide;tetrakis(iridium) (PubChem CID 159824395) has the molecular formula C90H73Ir4N8OS2-5 and a molecular weight of 2115.63 g/mol. Its IUPAC name is 5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenyl-1,2,4-triazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-thiadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-thiazol-2-ide;tetrakis(iridium).

Molecular Properties

Compound Name5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenyl-1,2,4-triazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-thiadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-thiazol-2-ide;tetrakis(iridium)
PubChem CID159824395
Molecular FormulaC90H73Ir4N8OS2-5
Molecular Weight2115.63 g/mol
Exact Mass2117.39
IUPAC Name5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenyl-1,2,4-triazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-thiadiazole;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)nn1C.Cc1cc(-c2ccccc2)cc(C)c1-c1nc(-c2[c-]cccc2)no1.Cc1cc(-c2ccccc2)cc(C)c1-c1nc(-c2[c-]cccc2)ns1.Cc1cc(-c2ccccc2)cc(C)c1C1=CN(c2[c-]cccc2)[CH-]S1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C23H20N3.C23H19NS.C22H17N2O.C22H17N2S.4Ir/c1-16-14-20(18-10-6-4-7-11-18)15-17(2)21(16)23-24-22(25-26(23)3)19-12-8-5-9-13-19;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;2*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;;;;/h4-12,14-15H,1-3H3;3-11,13-16H,1-2H3;2*3-11,13-14H,1-2H3;;;;/q-1;-2;2*-1;;;;
InChIKeyXWJJECQIBOKMFB-UHFFFAOYSA-N
XLogP23.11
TPSA98.65 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002115.63
LogP ≤ 523.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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

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Related Compounds

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
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)-1-methyl-3-phenyl-1,2,4-triazole;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-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;pentakis(rhodium);tris(rhodium(2+))
CID 158744894
3-phenyl-5-(4-phenylphenyl)-1,2,4-oxadiazole;3-phenyl-5-(4-phenylphenyl)-2H-1,3-oxazol-2-ide;3-phenyl-5-(4-phenylphenyl)-1,2,4-thiadiazole;3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazol-2-ide;platinum;bis(platinum(2+))
CID 159208501
5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenyl-1,2,4-triazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-thiadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-thiazol-2-ide;tris(rhodium);rhodium(2+)
CID 159871402
tetrakis(iridium);1-methyl-3-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3-phenyl-5-(4-phenylphenyl)-1,2,4-oxadiazole;3-phenyl-5-(4-phenylphenyl)-1,2,4-thiadiazole;3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazol-2-ide
CID 160258086
1-methyl-3-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3-phenyl-5-(4-phenylphenyl)-1,2,4-oxadiazole;3-phenyl-5-(4-phenylphenyl)-1,2,4-thiadiazole;3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazol-2-ide;platinum;tris(platinum(2+))
CID 160274301
1-methyl-3-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;3-phenyl-5-(4-phenylphenyl)-1,2,4-oxadiazole;3-phenyl-5-(4-phenylphenyl)-1,2,4-thiadiazole;3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazol-2-ide;tris(rhodium);rhodium(2+)
CID 161539917
4-(2,6-dimethyl-4-phenylphenyl)-3-methyl-1-phenyltriazol-1-ium;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-thiadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-thiazol-2-ide;tris(rhodium);rhodium(2+)
CID 162053100

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenyl-1,2,4-triazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-thiadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-thiazol-2-ide;tetrakis(iridium)?
The IUPAC name of 5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenyl-1,2,4-triazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-thiadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-thiazol-2-ide;tetrakis(iridium) (CID 159824395) is 5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenyl-1,2,4-triazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-thiadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-thiazol-2-ide;tetrakis(iridium).
What is the SMILES notation for 5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenyl-1,2,4-triazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-thiadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-thiazol-2-ide;tetrakis(iridium)?
The canonical SMILES for 5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenyl-1,2,4-triazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-thiadiazole;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)nn1C.Cc1cc(-c2ccccc2)cc(C)c1-c1nc(-c2[c-]cccc2)no1.Cc1cc(-c2ccccc2)cc(C)c1-c1nc(-c2[c-]cccc2)ns1.Cc1cc(-c2ccccc2)cc(C)c1C1=CN(c2[c-]cccc2)[CH-]S1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenyl-1,2,4-triazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-thiadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-thiazol-2-ide;tetrakis(iridium)?
The InChIKey is XWJJECQIBOKMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N3.C23H19NS.C22H17N2O.C22H17N2S.4Ir/c1-16-14-20(18-10-6-4-7-11-18)15-17(2)21(16)23-24-22(25-26(23)3)19-12-8-5-9-13-19;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;2*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;;;;/h4-12,14-15H,1-3H3;3-11,13-16H,1-2H3;2*3-11,13-14H,1-2H3;;;;/q-1;-2;2*-1;;;;.
What are the key properties of 5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenyl-1,2,4-triazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-thiadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-thiazol-2-ide;tetrakis(iridium)?
5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenyl-1,2,4-triazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-thiadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-thiazol-2-ide;tetrakis(iridium) has a molecular weight of 2115.63 g/mol, XLogP of 23.11, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethyl-4-phenylphenyl)-1-methyl-3-phenyl-1,2,4-triazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-oxadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-1,2,4-thiadiazole;5-(2,6-dimethyl-4-phenylphenyl)-3-phenyl-2H-1,3-thiazol-2-ide;tetrakis(iridium) is sourced from PubChem (CID 159824395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).