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;1-(1-methyl-3H-pyrrol-3-id-4-yl)pyrazole;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;4-(3-phenylpyrazol-1-id-5-yl)-1,3-thiazole;4-(4-phenylpyrrol-1-id-2-yl)-1,3-oxazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;bis(1-(2H-thiophen-2-id-3-yl)-4H-pyrazol-1-ium)

C100H78Ir5N26O2S5-8 — CID 158295738

About 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;1-(1-methyl-3H-pyrrol-3-id-4-yl)pyrazole;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;4-(3-phenylpyrazol-1-id-5-yl)-1,3-thiazole;4-(4-phenylpyrrol-1-id-2-yl)-1,3-oxazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;bis(1-(2H-thiophen-2-id-3-yl)-4H-pyrazol-1-ium)

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;1-(1-methyl-3H-pyrrol-3-id-4-yl)pyrazole;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;4-(3-phenylpyrazol-1-id-5-yl)-1,3-thiazole;4-(4-phenylpyrrol-1-id-2-yl)-1,3-oxazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;bis(1-(2H-thiophen-2-id-3-yl)-4H-pyrazol-1-ium) (PubChem CID 158295738) has the molecular formula C100H78Ir5N26O2S5-8 and a molecular weight of 2797.32 g/mol. Its IUPAC name is 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;1-(1-methyl-3H-pyrrol-3-id-4-yl)pyrazole;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;4-(3-phenylpyrazol-1-id-5-yl)-1,3-thiazole;4-(4-phenylpyrrol-1-id-2-yl)-1,3-oxazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;bis(1-(2H-thiophen-2-id-3-yl)-4H-pyrazol-1-ium).

Molecular Properties

• Compound Name: 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;1-(1-methyl-3H-pyrrol-3-id-4-yl)pyrazole;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;4-(3-phenylpyrazol-1-id-5-yl)-1,3-thiazole;4-(4-phenylpyrrol-1-id-2-yl)-1,3-oxazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;bis(1-(2H-thiophen-2-id-3-yl)-4H-pyrazol-1-ium)
• PubChem CID: 158295738
• Molecular Formula: C100H78Ir5N26O2S5-8
• Molecular Weight: 2797.32 g/mol
• Exact Mass: 2799.36
• IUPAC Name: 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;1-(1-methyl-3H-pyrrol-3-id-4-yl)pyrazole;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;4-(3-phenylpyrazol-1-id-5-yl)-1,3-thiazole;4-(4-phenylpyrrol-1-id-2-yl)-1,3-oxazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;bis(1-(2H-thiophen-2-id-3-yl)-4H-pyrazol-1-ium)
• SMILES: Cn1[c-]c(-n2cccn2)cn1.Cn1c[c-]c(-n2cccn2)c1.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-]1sccc1[N+]1=CCC=N1.[c-]1sccc1[N+]1=CCC=N1.c1ccc(-c2c[n-]c(-c3cocn3)c2)cc1.c1ccc(-c2cc(-c3cscn3)[n-]n2)cc1
• InChI: InChI=1S/C14H12N3.C13H9N2O.C13H9N2S.2C12H8N3S.C8H8N3.C7H7N4.C7H5N2O.2C7H6N2S.5Ir/c1-17-8-7-15-14(17)13-9-12(10-16-13)11-5-3-2-4-6-11;1-2-4-10(5-3-1)11-6-12(14-7-11)13-8-16-9-15-13;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;1-2-4-9(5-3-1)10-6-11(15-14-10)12-7-16-8-13-12;1-10-6-3-8(7-10)11-5-2-4-9-11;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;;;;;/h2-10H,1H3;1-9H;1-8,10H;1-7,9H;1-8H;2,4-7H,1H3;2-5H,1H3;1,3-6H;2*2-5H,1H2;;;;;/q8*-1
• InChIKey: IGFMNUVHBDRQNW-UHFFFAOYSA-N
• XLogP: 20.68
• TPSA: 280.55 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 15
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2797.32
LogP ≤ 5	20.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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;1-(1-methyl-3H-pyrrol-3-id-4-yl)pyrazole;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;4-(3-phenylpyrazol-1-id-5-yl)-1,3-thiazole;4-(4-phenylpyrrol-1-id-2-yl)-1,3-oxazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;bis(1-(2H-thiophen-2-id-3-yl)-4H-pyrazol-1-ium)?

The IUPAC name of 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;1-(1-methyl-3H-pyrrol-3-id-4-yl)pyrazole;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;4-(3-phenylpyrazol-1-id-5-yl)-1,3-thiazole;4-(4-phenylpyrrol-1-id-2-yl)-1,3-oxazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;bis(1-(2H-thiophen-2-id-3-yl)-4H-pyrazol-1-ium) (CID 158295738) is 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;1-(1-methyl-3H-pyrrol-3-id-4-yl)pyrazole;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;4-(3-phenylpyrazol-1-id-5-yl)-1,3-thiazole;4-(4-phenylpyrrol-1-id-2-yl)-1,3-oxazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;bis(1-(2H-thiophen-2-id-3-yl)-4H-pyrazol-1-ium).

What is the SMILES notation for 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;1-(1-methyl-3H-pyrrol-3-id-4-yl)pyrazole;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;4-(3-phenylpyrazol-1-id-5-yl)-1,3-thiazole;4-(4-phenylpyrrol-1-id-2-yl)-1,3-oxazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;bis(1-(2H-thiophen-2-id-3-yl)-4H-pyrazol-1-ium)?

The canonical SMILES for 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;1-(1-methyl-3H-pyrrol-3-id-4-yl)pyrazole;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;4-(3-phenylpyrazol-1-id-5-yl)-1,3-thiazole;4-(4-phenylpyrrol-1-id-2-yl)-1,3-oxazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;bis(1-(2H-thiophen-2-id-3-yl)-4H-pyrazol-1-ium) is Cn1[c-]c(-n2cccn2)cn1.Cn1c[c-]c(-n2cccn2)c1.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-]1sccc1[N+]1=CCC=N1.[c-]1sccc1[N+]1=CCC=N1.c1ccc(-c2c[n-]c(-c3cocn3)c2)cc1.c1ccc(-c2cc(-c3cscn3)[n-]n2)cc1.

What is the InChIKey of 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;1-(1-methyl-3H-pyrrol-3-id-4-yl)pyrazole;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;4-(3-phenylpyrazol-1-id-5-yl)-1,3-thiazole;4-(4-phenylpyrrol-1-id-2-yl)-1,3-oxazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;bis(1-(2H-thiophen-2-id-3-yl)-4H-pyrazol-1-ium)?

The InChIKey is IGFMNUVHBDRQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N3.C13H9N2O.C13H9N2S.2C12H8N3S.C8H8N3.C7H7N4.C7H5N2O.2C7H6N2S.5Ir/c1-17-8-7-15-14(17)13-9-12(10-16-13)11-5-3-2-4-6-11;1-2-4-10(5-3-1)11-6-12(14-7-11)13-8-16-9-15-13;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;1-2-4-9(5-3-1)10-6-11(15-14-10)12-7-16-8-13-12;1-10-6-3-8(7-10)11-5-2-4-9-11;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;;;;;/h2-10H,1H3;1-9H;1-8,10H;1-7,9H;1-8H;2,4-7H,1H3;2-5H,1H3;1,3-6H;2*2-5H,1H2;;;;;/q8*-1;;;;;;;.

What are the key properties of 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;1-(1-methyl-3H-pyrrol-3-id-4-yl)pyrazole;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;4-(3-phenylpyrazol-1-id-5-yl)-1,3-thiazole;4-(4-phenylpyrrol-1-id-2-yl)-1,3-oxazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;bis(1-(2H-thiophen-2-id-3-yl)-4H-pyrazol-1-ium)?

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;1-(1-methyl-3H-pyrrol-3-id-4-yl)pyrazole;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;4-(3-phenylpyrazol-1-id-5-yl)-1,3-thiazole;4-(4-phenylpyrrol-1-id-2-yl)-1,3-oxazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;bis(1-(2H-thiophen-2-id-3-yl)-4H-pyrazol-1-ium) has a molecular weight of 2797.32 g/mol, XLogP of 20.68, 15 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 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;1-(1-methyl-3H-pyrrol-3-id-4-yl)pyrazole;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;4-(3-phenylpyrazol-1-id-5-yl)-1,3-thiazole;4-(4-phenylpyrrol-1-id-2-yl)-1,3-oxazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;bis(1-(2H-thiophen-2-id-3-yl)-4H-pyrazol-1-ium) is sourced from PubChem (CID 158295738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).