3-(2,6-dimethylphenyl)-1-(1-methylimidazol-2-yl)-5H-pyrazol-5-ide;2-[4-(2,6-dimethylphenyl)-2H-pyrrol-2-id-1-yl]-1-methylimidazole;1-(3H-furan-3-id-4-yl)pyrazole;pentakis(iridium);1-methyl-2-(4-phenylpyrrol-1-id-2-yl)imidazole;1-methyl-4-pyrazol-1-yl-5H-pyrazol-5-ide;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;5-pyrazol-1-yl-4H-1,3-thiazol-4-ide;bis(1-(2H-thiophen-2-id-3-yl)pyrazole)

C104H86Ir5N28OS5-10 — CID 160743975

About 3-(2,6-dimethylphenyl)-1-(1-methylimidazol-2-yl)-5H-pyrazol-5-ide;2-[4-(2,6-dimethylphenyl)-2H-pyrrol-2-id-1-yl]-1-methylimidazole;1-(3H-furan-3-id-4-yl)pyrazole;pentakis(iridium);1-methyl-2-(4-phenylpyrrol-1-id-2-yl)imidazole;1-methyl-4-pyrazol-1-yl-5H-pyrazol-5-ide;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;5-pyrazol-1-yl-4H-1,3-thiazol-4-ide;bis(1-(2H-thiophen-2-id-3-yl)pyrazole)

3-(2,6-dimethylphenyl)-1-(1-methylimidazol-2-yl)-5H-pyrazol-5-ide;2-[4-(2,6-dimethylphenyl)-2H-pyrrol-2-id-1-yl]-1-methylimidazole;1-(3H-furan-3-id-4-yl)pyrazole;pentakis(iridium);1-methyl-2-(4-phenylpyrrol-1-id-2-yl)imidazole;1-methyl-4-pyrazol-1-yl-5H-pyrazol-5-ide;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;5-pyrazol-1-yl-4H-1,3-thiazol-4-ide;bis(1-(2H-thiophen-2-id-3-yl)pyrazole) (PubChem CID 160743975) has the molecular formula C104H86Ir5N28OS5-10 and a molecular weight of 2865.45 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-1-(1-methylimidazol-2-yl)-5H-pyrazol-5-ide;2-[4-(2,6-dimethylphenyl)-2H-pyrrol-2-id-1-yl]-1-methylimidazole;1-(3H-furan-3-id-4-yl)pyrazole;pentakis(iridium);1-methyl-2-(4-phenylpyrrol-1-id-2-yl)imidazole;1-methyl-4-pyrazol-1-yl-5H-pyrazol-5-ide;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;5-pyrazol-1-yl-4H-1,3-thiazol-4-ide;bis(1-(2H-thiophen-2-id-3-yl)pyrazole).

Molecular Properties

• Compound Name: 3-(2,6-dimethylphenyl)-1-(1-methylimidazol-2-yl)-5H-pyrazol-5-ide;2-[4-(2,6-dimethylphenyl)-2H-pyrrol-2-id-1-yl]-1-methylimidazole;1-(3H-furan-3-id-4-yl)pyrazole;pentakis(iridium);1-methyl-2-(4-phenylpyrrol-1-id-2-yl)imidazole;1-methyl-4-pyrazol-1-yl-5H-pyrazol-5-ide;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;5-pyrazol-1-yl-4H-1,3-thiazol-4-ide;bis(1-(2H-thiophen-2-id-3-yl)pyrazole)
• PubChem CID: 160743975
• Molecular Formula: C104H86Ir5N28OS5-10
• Molecular Weight: 2865.45 g/mol
• Exact Mass: 2867.43
• IUPAC Name: 3-(2,6-dimethylphenyl)-1-(1-methylimidazol-2-yl)-5H-pyrazol-5-ide;2-[4-(2,6-dimethylphenyl)-2H-pyrrol-2-id-1-yl]-1-methylimidazole;1-(3H-furan-3-id-4-yl)pyrazole;pentakis(iridium);1-methyl-2-(4-phenylpyrrol-1-id-2-yl)imidazole;1-methyl-4-pyrazol-1-yl-5H-pyrazol-5-ide;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;5-pyrazol-1-yl-4H-1,3-thiazol-4-ide;bis(1-(2H-thiophen-2-id-3-yl)pyrazole)
• SMILES: Cc1cccc(C)c1-c1c[c-]n(-c2nccn2C)c1.Cc1cccc(C)c1-c1c[c-]n(-c2nccn2C)n1.Cn1[c-]c(-n2cccn2)cn1.Cn1ccnc1-c1cc(-c2ccccc2)c[n-]1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)n1-c1nccs1.[c-]1cocc1-n1cccn1.[c-]1ncc(-c2ccccc2)n1-c1cscn1.[c-]1ncsc1-n1cccn1.[c-]1sccc1-n1cccn1.[c-]1sccc1-n1cccn1
• InChI: InChI=1S/C16H16N3.C15H15N4.C14H12N3.C13H9N2S.C12H8N3S.C7H7N4.C7H5N2O.2C7H5N2S.C6H4N3S.5Ir/c1-12-5-4-6-13(2)15(12)14-7-9-19(11-14)16-17-8-10-18(16)3;1-11-5-4-6-12(2)14(11)13-7-9-19(17-13)15-16-8-10-18(15)3;1-17-8-7-15-14(17)13-9-12(10-16-13)11-5-3-2-4-6-11;1-2-5-11(6-3-1)12-7-4-9-15(12)13-14-8-10-16-13;1-2-4-10(5-3-1)11-6-13-8-15(11)12-7-16-9-14-12;1-10-6-7(5-9-10)11-4-2-3-8-11;3*1-3-8-9(4-1)7-2-5-10-6-7;1-2-8-9(3-1)6-4-7-5-10-6;;;;;/h4-8,10-11H,1-3H3;4-8,10H,1-3H3;2-10H,1H3;1-8,10H;1-7,9H;2-5H,1H3;1,3-6H;2*1-5H;1-3,5H;;;;;/q10*-1
• InChIKey: VEHVANHEJGVFHJ-UHFFFAOYSA-N
• XLogP: 21.15
• TPSA: 271.79 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 15
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2865.45
LogP ≤ 5	21.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-1-(1-methylimidazol-2-yl)-5H-pyrazol-5-ide;2-[4-(2,6-dimethylphenyl)-2H-pyrrol-2-id-1-yl]-1-methylimidazole;1-(3H-furan-3-id-4-yl)pyrazole;pentakis(iridium);1-methyl-2-(4-phenylpyrrol-1-id-2-yl)imidazole;1-methyl-4-pyrazol-1-yl-5H-pyrazol-5-ide;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;5-pyrazol-1-yl-4H-1,3-thiazol-4-ide;bis(1-(2H-thiophen-2-id-3-yl)pyrazole)?

The IUPAC name of 3-(2,6-dimethylphenyl)-1-(1-methylimidazol-2-yl)-5H-pyrazol-5-ide;2-[4-(2,6-dimethylphenyl)-2H-pyrrol-2-id-1-yl]-1-methylimidazole;1-(3H-furan-3-id-4-yl)pyrazole;pentakis(iridium);1-methyl-2-(4-phenylpyrrol-1-id-2-yl)imidazole;1-methyl-4-pyrazol-1-yl-5H-pyrazol-5-ide;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;5-pyrazol-1-yl-4H-1,3-thiazol-4-ide;bis(1-(2H-thiophen-2-id-3-yl)pyrazole) (CID 160743975) is 3-(2,6-dimethylphenyl)-1-(1-methylimidazol-2-yl)-5H-pyrazol-5-ide;2-[4-(2,6-dimethylphenyl)-2H-pyrrol-2-id-1-yl]-1-methylimidazole;1-(3H-furan-3-id-4-yl)pyrazole;pentakis(iridium);1-methyl-2-(4-phenylpyrrol-1-id-2-yl)imidazole;1-methyl-4-pyrazol-1-yl-5H-pyrazol-5-ide;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;5-pyrazol-1-yl-4H-1,3-thiazol-4-ide;bis(1-(2H-thiophen-2-id-3-yl)pyrazole).

What is the SMILES notation for 3-(2,6-dimethylphenyl)-1-(1-methylimidazol-2-yl)-5H-pyrazol-5-ide;2-[4-(2,6-dimethylphenyl)-2H-pyrrol-2-id-1-yl]-1-methylimidazole;1-(3H-furan-3-id-4-yl)pyrazole;pentakis(iridium);1-methyl-2-(4-phenylpyrrol-1-id-2-yl)imidazole;1-methyl-4-pyrazol-1-yl-5H-pyrazol-5-ide;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;5-pyrazol-1-yl-4H-1,3-thiazol-4-ide;bis(1-(2H-thiophen-2-id-3-yl)pyrazole)?

The canonical SMILES for 3-(2,6-dimethylphenyl)-1-(1-methylimidazol-2-yl)-5H-pyrazol-5-ide;2-[4-(2,6-dimethylphenyl)-2H-pyrrol-2-id-1-yl]-1-methylimidazole;1-(3H-furan-3-id-4-yl)pyrazole;pentakis(iridium);1-methyl-2-(4-phenylpyrrol-1-id-2-yl)imidazole;1-methyl-4-pyrazol-1-yl-5H-pyrazol-5-ide;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;5-pyrazol-1-yl-4H-1,3-thiazol-4-ide;bis(1-(2H-thiophen-2-id-3-yl)pyrazole) is Cc1cccc(C)c1-c1c[c-]n(-c2nccn2C)c1.Cc1cccc(C)c1-c1c[c-]n(-c2nccn2C)n1.Cn1[c-]c(-n2cccn2)cn1.Cn1ccnc1-c1cc(-c2ccccc2)c[n-]1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)n1-c1nccs1.[c-]1cocc1-n1cccn1.[c-]1ncc(-c2ccccc2)n1-c1cscn1.[c-]1ncsc1-n1cccn1.[c-]1sccc1-n1cccn1.[c-]1sccc1-n1cccn1.

What is the InChIKey of 3-(2,6-dimethylphenyl)-1-(1-methylimidazol-2-yl)-5H-pyrazol-5-ide;2-[4-(2,6-dimethylphenyl)-2H-pyrrol-2-id-1-yl]-1-methylimidazole;1-(3H-furan-3-id-4-yl)pyrazole;pentakis(iridium);1-methyl-2-(4-phenylpyrrol-1-id-2-yl)imidazole;1-methyl-4-pyrazol-1-yl-5H-pyrazol-5-ide;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;5-pyrazol-1-yl-4H-1,3-thiazol-4-ide;bis(1-(2H-thiophen-2-id-3-yl)pyrazole)?

The InChIKey is VEHVANHEJGVFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N3.C15H15N4.C14H12N3.C13H9N2S.C12H8N3S.C7H7N4.C7H5N2O.2C7H5N2S.C6H4N3S.5Ir/c1-12-5-4-6-13(2)15(12)14-7-9-19(11-14)16-17-8-10-18(16)3;1-11-5-4-6-12(2)14(11)13-7-9-19(17-13)15-16-8-10-18(15)3;1-17-8-7-15-14(17)13-9-12(10-16-13)11-5-3-2-4-6-11;1-2-5-11(6-3-1)12-7-4-9-15(12)13-14-8-10-16-13;1-2-4-10(5-3-1)11-6-13-8-15(11)12-7-16-9-14-12;1-10-6-7(5-9-10)11-4-2-3-8-11;3*1-3-8-9(4-1)7-2-5-10-6-7;1-2-8-9(3-1)6-4-7-5-10-6;;;;;/h4-8,10-11H,1-3H3;4-8,10H,1-3H3;2-10H,1H3;1-8,10H;1-7,9H;2-5H,1H3;1,3-6H;2*1-5H;1-3,5H;;;;;/q10*-1;;;;;.

What are the key properties of 3-(2,6-dimethylphenyl)-1-(1-methylimidazol-2-yl)-5H-pyrazol-5-ide;2-[4-(2,6-dimethylphenyl)-2H-pyrrol-2-id-1-yl]-1-methylimidazole;1-(3H-furan-3-id-4-yl)pyrazole;pentakis(iridium);1-methyl-2-(4-phenylpyrrol-1-id-2-yl)imidazole;1-methyl-4-pyrazol-1-yl-5H-pyrazol-5-ide;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;5-pyrazol-1-yl-4H-1,3-thiazol-4-ide;bis(1-(2H-thiophen-2-id-3-yl)pyrazole)?

3-(2,6-dimethylphenyl)-1-(1-methylimidazol-2-yl)-5H-pyrazol-5-ide;2-[4-(2,6-dimethylphenyl)-2H-pyrrol-2-id-1-yl]-1-methylimidazole;1-(3H-furan-3-id-4-yl)pyrazole;pentakis(iridium);1-methyl-2-(4-phenylpyrrol-1-id-2-yl)imidazole;1-methyl-4-pyrazol-1-yl-5H-pyrazol-5-ide;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;5-pyrazol-1-yl-4H-1,3-thiazol-4-ide;bis(1-(2H-thiophen-2-id-3-yl)pyrazole) has a molecular weight of 2865.45 g/mol, XLogP of 21.15, 15 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,6-dimethylphenyl)-1-(1-methylimidazol-2-yl)-5H-pyrazol-5-ide;2-[4-(2,6-dimethylphenyl)-2H-pyrrol-2-id-1-yl]-1-methylimidazole;1-(3H-furan-3-id-4-yl)pyrazole;pentakis(iridium);1-methyl-2-(4-phenylpyrrol-1-id-2-yl)imidazole;1-methyl-4-pyrazol-1-yl-5H-pyrazol-5-ide;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;5-pyrazol-1-yl-4H-1,3-thiazol-4-ide;bis(1-(2H-thiophen-2-id-3-yl)pyrazole) is sourced from PubChem (CID 160743975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).