1-(2,6-dimethylphenyl)-3,5-bis(3-methylpyrazol-1-yl)-4H-pyrazol-4-ide;1-(2,6-dimethylphenyl)-5-[2-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-3H-thiophen-3-id-4-yl]-1,2,4-triazole;1-(2,6-dimethylphenyl)-5-ethyl-4-methyl-2-[2-(3-methylphenyl)-3H-thiophen-3-id-4-yl]imidazole;3-[1-(2,6-dimethylphenyl)imidazol-2-yl]-5-(3-methylphenyl)-4H-imidazol-4-ide;tetrakis(iridium)

C89H84Ir4N18S2-4 — CID 158883597

About 1-(2,6-dimethylphenyl)-3,5-bis(3-methylpyrazol-1-yl)-4H-pyrazol-4-ide;1-(2,6-dimethylphenyl)-5-[2-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-3H-thiophen-3-id-4-yl]-1,2,4-triazole;1-(2,6-dimethylphenyl)-5-ethyl-4-methyl-2-[2-(3-methylphenyl)-3H-thiophen-3-id-4-yl]imidazole;3-[1-(2,6-dimethylphenyl)imidazol-2-yl]-5-(3-methylphenyl)-4H-imidazol-4-ide;tetrakis(iridium)

1-(2,6-dimethylphenyl)-3,5-bis(3-methylpyrazol-1-yl)-4H-pyrazol-4-ide;1-(2,6-dimethylphenyl)-5-[2-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-3H-thiophen-3-id-4-yl]-1,2,4-triazole;1-(2,6-dimethylphenyl)-5-ethyl-4-methyl-2-[2-(3-methylphenyl)-3H-thiophen-3-id-4-yl]imidazole;3-[1-(2,6-dimethylphenyl)imidazol-2-yl]-5-(3-methylphenyl)-4H-imidazol-4-ide;tetrakis(iridium) (PubChem CID 158883597) has the molecular formula C89H84Ir4N18S2-4 and a molecular weight of 2238.78 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3,5-bis(3-methylpyrazol-1-yl)-4H-pyrazol-4-ide;1-(2,6-dimethylphenyl)-5-[2-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-3H-thiophen-3-id-4-yl]-1,2,4-triazole;1-(2,6-dimethylphenyl)-5-ethyl-4-methyl-2-[2-(3-methylphenyl)-3H-thiophen-3-id-4-yl]imidazole;3-[1-(2,6-dimethylphenyl)imidazol-2-yl]-5-(3-methylphenyl)-4H-imidazol-4-ide;tetrakis(iridium).

Molecular Properties

• Compound Name: 1-(2,6-dimethylphenyl)-3,5-bis(3-methylpyrazol-1-yl)-4H-pyrazol-4-ide;1-(2,6-dimethylphenyl)-5-[2-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-3H-thiophen-3-id-4-yl]-1,2,4-triazole;1-(2,6-dimethylphenyl)-5-ethyl-4-methyl-2-[2-(3-methylphenyl)-3H-thiophen-3-id-4-yl]imidazole;3-[1-(2,6-dimethylphenyl)imidazol-2-yl]-5-(3-methylphenyl)-4H-imidazol-4-ide;tetrakis(iridium)
• PubChem CID: 158883597
• Molecular Formula: C89H84Ir4N18S2-4
• Molecular Weight: 2238.78 g/mol
• Exact Mass: 2240.51
• IUPAC Name: 1-(2,6-dimethylphenyl)-3,5-bis(3-methylpyrazol-1-yl)-4H-pyrazol-4-ide;1-(2,6-dimethylphenyl)-5-[2-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-3H-thiophen-3-id-4-yl]-1,2,4-triazole;1-(2,6-dimethylphenyl)-5-ethyl-4-methyl-2-[2-(3-methylphenyl)-3H-thiophen-3-id-4-yl]imidazole;3-[1-(2,6-dimethylphenyl)imidazol-2-yl]-5-(3-methylphenyl)-4H-imidazol-4-ide;tetrakis(iridium)
• SMILES: CCc1c(C)nc(-c2[c-]c(-c3cccc(C)c3)sc2)n1-c1c(C)cccc1C.Cc1cccc(-c2[c-]n(-c3nccn3-c3c(C)cccc3C)cn2)c1.Cc1cccc(C)c1-n1cnnc1-c1[c-]c(-c2ncnn2-c2c(C)cccc2C)cs1.Cc1ccn(-c2[c-]c(-n3ccc(C)n3)n(-c3c(C)cccc3C)n2)n1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C25H25N2S.C24H21N6S.C21H19N4.C19H19N6.4Ir/c1-6-22-19(5)26-25(27(22)24-17(3)10-8-11-18(24)4)21-14-23(28-15-21)20-12-7-9-16(2)13-20;1-15-7-5-8-16(2)21(15)29-14-26-28-24(29)20-11-19(12-31-20)23-25-13-27-30(23)22-17(3)9-6-10-18(22)4;1-15-6-4-9-18(12-15)19-13-24(14-23-19)21-22-10-11-25(21)20-16(2)7-5-8-17(20)3;1-13-6-5-7-14(2)19(13)25-18(24-11-9-16(4)21-24)12-17(22-25)23-10-8-15(3)20-23;;;;/h7-13,15H,6H2,1-5H3;5-10,12-14H,1-4H3;4-12,14H,1-3H3;5-11H,1-4H3;;;;/q4*-1
• InChIKey: RGLVBIIPQRMCIN-UHFFFAOYSA-N
• XLogP: 19.86
• TPSA: 168.34 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2238.78
LogP ≤ 5	19.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3,5-bis(3-methylpyrazol-1-yl)-4H-pyrazol-4-ide;1-(2,6-dimethylphenyl)-5-[2-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-3H-thiophen-3-id-4-yl]-1,2,4-triazole;1-(2,6-dimethylphenyl)-5-ethyl-4-methyl-2-[2-(3-methylphenyl)-3H-thiophen-3-id-4-yl]imidazole;3-[1-(2,6-dimethylphenyl)imidazol-2-yl]-5-(3-methylphenyl)-4H-imidazol-4-ide;tetrakis(iridium)?

The IUPAC name of 1-(2,6-dimethylphenyl)-3,5-bis(3-methylpyrazol-1-yl)-4H-pyrazol-4-ide;1-(2,6-dimethylphenyl)-5-[2-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-3H-thiophen-3-id-4-yl]-1,2,4-triazole;1-(2,6-dimethylphenyl)-5-ethyl-4-methyl-2-[2-(3-methylphenyl)-3H-thiophen-3-id-4-yl]imidazole;3-[1-(2,6-dimethylphenyl)imidazol-2-yl]-5-(3-methylphenyl)-4H-imidazol-4-ide;tetrakis(iridium) (CID 158883597) is 1-(2,6-dimethylphenyl)-3,5-bis(3-methylpyrazol-1-yl)-4H-pyrazol-4-ide;1-(2,6-dimethylphenyl)-5-[2-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-3H-thiophen-3-id-4-yl]-1,2,4-triazole;1-(2,6-dimethylphenyl)-5-ethyl-4-methyl-2-[2-(3-methylphenyl)-3H-thiophen-3-id-4-yl]imidazole;3-[1-(2,6-dimethylphenyl)imidazol-2-yl]-5-(3-methylphenyl)-4H-imidazol-4-ide;tetrakis(iridium).

What is the SMILES notation for 1-(2,6-dimethylphenyl)-3,5-bis(3-methylpyrazol-1-yl)-4H-pyrazol-4-ide;1-(2,6-dimethylphenyl)-5-[2-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-3H-thiophen-3-id-4-yl]-1,2,4-triazole;1-(2,6-dimethylphenyl)-5-ethyl-4-methyl-2-[2-(3-methylphenyl)-3H-thiophen-3-id-4-yl]imidazole;3-[1-(2,6-dimethylphenyl)imidazol-2-yl]-5-(3-methylphenyl)-4H-imidazol-4-ide;tetrakis(iridium)?

The canonical SMILES for 1-(2,6-dimethylphenyl)-3,5-bis(3-methylpyrazol-1-yl)-4H-pyrazol-4-ide;1-(2,6-dimethylphenyl)-5-[2-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-3H-thiophen-3-id-4-yl]-1,2,4-triazole;1-(2,6-dimethylphenyl)-5-ethyl-4-methyl-2-[2-(3-methylphenyl)-3H-thiophen-3-id-4-yl]imidazole;3-[1-(2,6-dimethylphenyl)imidazol-2-yl]-5-(3-methylphenyl)-4H-imidazol-4-ide;tetrakis(iridium) is CCc1c(C)nc(-c2[c-]c(-c3cccc(C)c3)sc2)n1-c1c(C)cccc1C.Cc1cccc(-c2[c-]n(-c3nccn3-c3c(C)cccc3C)cn2)c1.Cc1cccc(C)c1-n1cnnc1-c1[c-]c(-c2ncnn2-c2c(C)cccc2C)cs1.Cc1ccn(-c2[c-]c(-n3ccc(C)n3)n(-c3c(C)cccc3C)n2)n1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 1-(2,6-dimethylphenyl)-3,5-bis(3-methylpyrazol-1-yl)-4H-pyrazol-4-ide;1-(2,6-dimethylphenyl)-5-[2-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-3H-thiophen-3-id-4-yl]-1,2,4-triazole;1-(2,6-dimethylphenyl)-5-ethyl-4-methyl-2-[2-(3-methylphenyl)-3H-thiophen-3-id-4-yl]imidazole;3-[1-(2,6-dimethylphenyl)imidazol-2-yl]-5-(3-methylphenyl)-4H-imidazol-4-ide;tetrakis(iridium)?

The InChIKey is RGLVBIIPQRMCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N2S.C24H21N6S.C21H19N4.C19H19N6.4Ir/c1-6-22-19(5)26-25(27(22)24-17(3)10-8-11-18(24)4)21-14-23(28-15-21)20-12-7-9-16(2)13-20;1-15-7-5-8-16(2)21(15)29-14-26-28-24(29)20-11-19(12-31-20)23-25-13-27-30(23)22-17(3)9-6-10-18(22)4;1-15-6-4-9-18(12-15)19-13-24(14-23-19)21-22-10-11-25(21)20-16(2)7-5-8-17(20)3;1-13-6-5-7-14(2)19(13)25-18(24-11-9-16(4)21-24)12-17(22-25)23-10-8-15(3)20-23;;;;/h7-13,15H,6H2,1-5H3;5-10,12-14H,1-4H3;4-12,14H,1-3H3;5-11H,1-4H3;;;;/q4*-1;;;;.

What are the key properties of 1-(2,6-dimethylphenyl)-3,5-bis(3-methylpyrazol-1-yl)-4H-pyrazol-4-ide;1-(2,6-dimethylphenyl)-5-[2-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-3H-thiophen-3-id-4-yl]-1,2,4-triazole;1-(2,6-dimethylphenyl)-5-ethyl-4-methyl-2-[2-(3-methylphenyl)-3H-thiophen-3-id-4-yl]imidazole;3-[1-(2,6-dimethylphenyl)imidazol-2-yl]-5-(3-methylphenyl)-4H-imidazol-4-ide;tetrakis(iridium)?

1-(2,6-dimethylphenyl)-3,5-bis(3-methylpyrazol-1-yl)-4H-pyrazol-4-ide;1-(2,6-dimethylphenyl)-5-[2-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-3H-thiophen-3-id-4-yl]-1,2,4-triazole;1-(2,6-dimethylphenyl)-5-ethyl-4-methyl-2-[2-(3-methylphenyl)-3H-thiophen-3-id-4-yl]imidazole;3-[1-(2,6-dimethylphenyl)imidazol-2-yl]-5-(3-methylphenyl)-4H-imidazol-4-ide;tetrakis(iridium) has a molecular weight of 2238.78 g/mol, XLogP of 19.86, 14 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-dimethylphenyl)-3,5-bis(3-methylpyrazol-1-yl)-4H-pyrazol-4-ide;1-(2,6-dimethylphenyl)-5-[2-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]-3H-thiophen-3-id-4-yl]-1,2,4-triazole;1-(2,6-dimethylphenyl)-5-ethyl-4-methyl-2-[2-(3-methylphenyl)-3H-thiophen-3-id-4-yl]imidazole;3-[1-(2,6-dimethylphenyl)imidazol-2-yl]-5-(3-methylphenyl)-4H-imidazol-4-ide;tetrakis(iridium) is sourced from PubChem (CID 158883597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).