1,5-dimethyl-3-(5-methyl-2H-furan-2-id-3-yl)-4-phenylpyrazole;1,5-dimethyl-3-[5-(2-methylphenyl)-3H-thiophen-3-id-4-yl]pyrazole;pentakis(iridium);1-methyl-4-(1-methyl-4-phenyl-2H-pyrrol-2-id-3-yl)imidazole;1-methyl-4-(4-phenyl-2H-furan-2-id-3-yl)imidazole;1-methyl-4-phenyl-3-[5-(2,4,6-trimethylphenyl)-2H-thiophen-2-id-3-yl]pyrazole

C84H76Ir5N11O2S2-5 — CID 158582730

About 1,5-dimethyl-3-(5-methyl-2H-furan-2-id-3-yl)-4-phenylpyrazole;1,5-dimethyl-3-[5-(2-methylphenyl)-3H-thiophen-3-id-4-yl]pyrazole;pentakis(iridium);1-methyl-4-(1-methyl-4-phenyl-2H-pyrrol-2-id-3-yl)imidazole;1-methyl-4-(4-phenyl-2H-furan-2-id-3-yl)imidazole;1-methyl-4-phenyl-3-[5-(2,4,6-trimethylphenyl)-2H-thiophen-2-id-3-yl]pyrazole

1,5-dimethyl-3-(5-methyl-2H-furan-2-id-3-yl)-4-phenylpyrazole;1,5-dimethyl-3-[5-(2-methylphenyl)-3H-thiophen-3-id-4-yl]pyrazole;pentakis(iridium);1-methyl-4-(1-methyl-4-phenyl-2H-pyrrol-2-id-3-yl)imidazole;1-methyl-4-(4-phenyl-2H-furan-2-id-3-yl)imidazole;1-methyl-4-phenyl-3-[5-(2,4,6-trimethylphenyl)-2H-thiophen-2-id-3-yl]pyrazole (PubChem CID 158582730) has the molecular formula C84H76Ir5N11O2S2-5 and a molecular weight of 2296.83 g/mol. Its IUPAC name is 1,5-dimethyl-3-(5-methyl-2H-furan-2-id-3-yl)-4-phenylpyrazole;1,5-dimethyl-3-[5-(2-methylphenyl)-3H-thiophen-3-id-4-yl]pyrazole;pentakis(iridium);1-methyl-4-(1-methyl-4-phenyl-2H-pyrrol-2-id-3-yl)imidazole;1-methyl-4-(4-phenyl-2H-furan-2-id-3-yl)imidazole;1-methyl-4-phenyl-3-[5-(2,4,6-trimethylphenyl)-2H-thiophen-2-id-3-yl]pyrazole.

Molecular Properties

• Compound Name: 1,5-dimethyl-3-(5-methyl-2H-furan-2-id-3-yl)-4-phenylpyrazole;1,5-dimethyl-3-[5-(2-methylphenyl)-3H-thiophen-3-id-4-yl]pyrazole;pentakis(iridium);1-methyl-4-(1-methyl-4-phenyl-2H-pyrrol-2-id-3-yl)imidazole;1-methyl-4-(4-phenyl-2H-furan-2-id-3-yl)imidazole;1-methyl-4-phenyl-3-[5-(2,4,6-trimethylphenyl)-2H-thiophen-2-id-3-yl]pyrazole
• PubChem CID: 158582730
• Molecular Formula: C84H76Ir5N11O2S2-5
• Molecular Weight: 2296.83 g/mol
• Exact Mass: 2299.38
• IUPAC Name: 1,5-dimethyl-3-(5-methyl-2H-furan-2-id-3-yl)-4-phenylpyrazole;1,5-dimethyl-3-[5-(2-methylphenyl)-3H-thiophen-3-id-4-yl]pyrazole;pentakis(iridium);1-methyl-4-(1-methyl-4-phenyl-2H-pyrrol-2-id-3-yl)imidazole;1-methyl-4-(4-phenyl-2H-furan-2-id-3-yl)imidazole;1-methyl-4-phenyl-3-[5-(2,4,6-trimethylphenyl)-2H-thiophen-2-id-3-yl]pyrazole
• SMILES: Cc1cc(-c2nn(C)c(C)c2-c2ccccc2)[c-]o1.Cc1cc(C)c(-c2cc(-c3nn(C)cc3-c3ccccc3)[c-]s2)c(C)c1.Cc1ccccc1-c1sc[c-]c1-c1cc(C)n(C)n1.Cn1[c-]c(-c2cn(C)cn2)c(-c2ccccc2)c1.Cn1cnc(-c2[c-]occ2-c2ccccc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C23H21N2S.C16H15N2O.C16H15N2S.C15H14N3.C14H11N2O.5Ir/c1-15-10-16(2)22(17(3)11-15)21-12-19(14-26-21)23-20(13-25(4)24-23)18-8-6-5-7-9-18;1-11-9-14(10-19-11)16-15(12(2)18(3)17-16)13-7-5-4-6-8-13;1-11-6-4-5-7-13(11)16-14(8-9-19-16)15-10-12(2)18(3)17-15;1-17-8-13(12-6-4-3-5-7-12)14(9-17)15-10-18(2)11-16-15;1-16-7-14(15-10-16)13-9-17-8-12(13)11-5-3-2-4-6-11;;;;;/h5-13H,1-4H3;4-9H,1-3H3;4-7,9-10H,1-3H3;3-8,10-11H,1-2H3;2-8,10H,1H3;;;;;/q5*-1
• InChIKey: ZHRVJJRFPUXAKM-UHFFFAOYSA-N
• XLogP: 20.23
• TPSA: 120.31 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2296.83
LogP ≤ 5	20.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-(5-methyl-2H-furan-2-id-3-yl)-4-phenylpyrazole;1,5-dimethyl-3-[5-(2-methylphenyl)-3H-thiophen-3-id-4-yl]pyrazole;pentakis(iridium);1-methyl-4-(1-methyl-4-phenyl-2H-pyrrol-2-id-3-yl)imidazole;1-methyl-4-(4-phenyl-2H-furan-2-id-3-yl)imidazole;1-methyl-4-phenyl-3-[5-(2,4,6-trimethylphenyl)-2H-thiophen-2-id-3-yl]pyrazole?

The IUPAC name of 1,5-dimethyl-3-(5-methyl-2H-furan-2-id-3-yl)-4-phenylpyrazole;1,5-dimethyl-3-[5-(2-methylphenyl)-3H-thiophen-3-id-4-yl]pyrazole;pentakis(iridium);1-methyl-4-(1-methyl-4-phenyl-2H-pyrrol-2-id-3-yl)imidazole;1-methyl-4-(4-phenyl-2H-furan-2-id-3-yl)imidazole;1-methyl-4-phenyl-3-[5-(2,4,6-trimethylphenyl)-2H-thiophen-2-id-3-yl]pyrazole (CID 158582730) is 1,5-dimethyl-3-(5-methyl-2H-furan-2-id-3-yl)-4-phenylpyrazole;1,5-dimethyl-3-[5-(2-methylphenyl)-3H-thiophen-3-id-4-yl]pyrazole;pentakis(iridium);1-methyl-4-(1-methyl-4-phenyl-2H-pyrrol-2-id-3-yl)imidazole;1-methyl-4-(4-phenyl-2H-furan-2-id-3-yl)imidazole;1-methyl-4-phenyl-3-[5-(2,4,6-trimethylphenyl)-2H-thiophen-2-id-3-yl]pyrazole.

What is the SMILES notation for 1,5-dimethyl-3-(5-methyl-2H-furan-2-id-3-yl)-4-phenylpyrazole;1,5-dimethyl-3-[5-(2-methylphenyl)-3H-thiophen-3-id-4-yl]pyrazole;pentakis(iridium);1-methyl-4-(1-methyl-4-phenyl-2H-pyrrol-2-id-3-yl)imidazole;1-methyl-4-(4-phenyl-2H-furan-2-id-3-yl)imidazole;1-methyl-4-phenyl-3-[5-(2,4,6-trimethylphenyl)-2H-thiophen-2-id-3-yl]pyrazole?

The canonical SMILES for 1,5-dimethyl-3-(5-methyl-2H-furan-2-id-3-yl)-4-phenylpyrazole;1,5-dimethyl-3-[5-(2-methylphenyl)-3H-thiophen-3-id-4-yl]pyrazole;pentakis(iridium);1-methyl-4-(1-methyl-4-phenyl-2H-pyrrol-2-id-3-yl)imidazole;1-methyl-4-(4-phenyl-2H-furan-2-id-3-yl)imidazole;1-methyl-4-phenyl-3-[5-(2,4,6-trimethylphenyl)-2H-thiophen-2-id-3-yl]pyrazole is Cc1cc(-c2nn(C)c(C)c2-c2ccccc2)[c-]o1.Cc1cc(C)c(-c2cc(-c3nn(C)cc3-c3ccccc3)[c-]s2)c(C)c1.Cc1ccccc1-c1sc[c-]c1-c1cc(C)n(C)n1.Cn1[c-]c(-c2cn(C)cn2)c(-c2ccccc2)c1.Cn1cnc(-c2[c-]occ2-c2ccccc2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 1,5-dimethyl-3-(5-methyl-2H-furan-2-id-3-yl)-4-phenylpyrazole;1,5-dimethyl-3-[5-(2-methylphenyl)-3H-thiophen-3-id-4-yl]pyrazole;pentakis(iridium);1-methyl-4-(1-methyl-4-phenyl-2H-pyrrol-2-id-3-yl)imidazole;1-methyl-4-(4-phenyl-2H-furan-2-id-3-yl)imidazole;1-methyl-4-phenyl-3-[5-(2,4,6-trimethylphenyl)-2H-thiophen-2-id-3-yl]pyrazole?

The InChIKey is ZHRVJJRFPUXAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N2S.C16H15N2O.C16H15N2S.C15H14N3.C14H11N2O.5Ir/c1-15-10-16(2)22(17(3)11-15)21-12-19(14-26-21)23-20(13-25(4)24-23)18-8-6-5-7-9-18;1-11-9-14(10-19-11)16-15(12(2)18(3)17-16)13-7-5-4-6-8-13;1-11-6-4-5-7-13(11)16-14(8-9-19-16)15-10-12(2)18(3)17-15;1-17-8-13(12-6-4-3-5-7-12)14(9-17)15-10-18(2)11-16-15;1-16-7-14(15-10-16)13-9-17-8-12(13)11-5-3-2-4-6-11;;;;;/h5-13H,1-4H3;4-9H,1-3H3;4-7,9-10H,1-3H3;3-8,10-11H,1-2H3;2-8,10H,1H3;;;;;/q5*-1;;;;;.

What are the key properties of 1,5-dimethyl-3-(5-methyl-2H-furan-2-id-3-yl)-4-phenylpyrazole;1,5-dimethyl-3-[5-(2-methylphenyl)-3H-thiophen-3-id-4-yl]pyrazole;pentakis(iridium);1-methyl-4-(1-methyl-4-phenyl-2H-pyrrol-2-id-3-yl)imidazole;1-methyl-4-(4-phenyl-2H-furan-2-id-3-yl)imidazole;1-methyl-4-phenyl-3-[5-(2,4,6-trimethylphenyl)-2H-thiophen-2-id-3-yl]pyrazole?

1,5-dimethyl-3-(5-methyl-2H-furan-2-id-3-yl)-4-phenylpyrazole;1,5-dimethyl-3-[5-(2-methylphenyl)-3H-thiophen-3-id-4-yl]pyrazole;pentakis(iridium);1-methyl-4-(1-methyl-4-phenyl-2H-pyrrol-2-id-3-yl)imidazole;1-methyl-4-(4-phenyl-2H-furan-2-id-3-yl)imidazole;1-methyl-4-phenyl-3-[5-(2,4,6-trimethylphenyl)-2H-thiophen-2-id-3-yl]pyrazole has a molecular weight of 2296.83 g/mol, XLogP of 20.23, 11 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-dimethyl-3-(5-methyl-2H-furan-2-id-3-yl)-4-phenylpyrazole;1,5-dimethyl-3-[5-(2-methylphenyl)-3H-thiophen-3-id-4-yl]pyrazole;pentakis(iridium);1-methyl-4-(1-methyl-4-phenyl-2H-pyrrol-2-id-3-yl)imidazole;1-methyl-4-(4-phenyl-2H-furan-2-id-3-yl)imidazole;1-methyl-4-phenyl-3-[5-(2,4,6-trimethylphenyl)-2H-thiophen-2-id-3-yl]pyrazole is sourced from PubChem (CID 158582730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).