1-(3H-furan-3-id-4-yl)pyrazole;tris(iridium);1-methyl-2-(4-phenylpyrrol-1-id-2-yl)imidazole;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;bis(1-(2H-thiophen-2-id-3-yl)pyrazole)

C60H44Ir3N14OS4-6 — CID 159524517

About 1-(3H-furan-3-id-4-yl)pyrazole;tris(iridium);1-methyl-2-(4-phenylpyrrol-1-id-2-yl)imidazole;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;bis(1-(2H-thiophen-2-id-3-yl)pyrazole)

1-(3H-furan-3-id-4-yl)pyrazole;tris(iridium);1-methyl-2-(4-phenylpyrrol-1-id-2-yl)imidazole;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;bis(1-(2H-thiophen-2-id-3-yl)pyrazole) (PubChem CID 159524517) has the molecular formula C60H44Ir3N14OS4-6 and a molecular weight of 1682.03 g/mol. Its IUPAC name is 1-(3H-furan-3-id-4-yl)pyrazole;tris(iridium);1-methyl-2-(4-phenylpyrrol-1-id-2-yl)imidazole;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;bis(1-(2H-thiophen-2-id-3-yl)pyrazole).

Molecular Properties

• Compound Name: 1-(3H-furan-3-id-4-yl)pyrazole;tris(iridium);1-methyl-2-(4-phenylpyrrol-1-id-2-yl)imidazole;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;bis(1-(2H-thiophen-2-id-3-yl)pyrazole)
• PubChem CID: 159524517
• Molecular Formula: C60H44Ir3N14OS4-6
• Molecular Weight: 1682.03 g/mol
• Exact Mass: 1683.16
• IUPAC Name: 1-(3H-furan-3-id-4-yl)pyrazole;tris(iridium);1-methyl-2-(4-phenylpyrrol-1-id-2-yl)imidazole;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;bis(1-(2H-thiophen-2-id-3-yl)pyrazole)
• SMILES: Cn1ccnc1-c1cc(-c2ccccc2)c[n-]1.[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)n1-c1nccs1.[c-]1cocc1-n1cccn1.[c-]1ncc(-c2ccccc2)n1-c1cscn1.[c-]1sccc1-n1cccn1.[c-]1sccc1-n1cccn1
• InChI: InChI=1S/C14H12N3.C13H9N2S.C12H8N3S.C7H5N2O.2C7H5N2S.3Ir/c1-17-8-7-15-14(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;3*1-3-8-9(4-1)7-2-5-10-6-7;;;/h2-10H,1H3;1-8,10H;1-7,9H;1,3-6H;2*1-5H;;;/q6*-1
• InChIKey: GKQJTVLWPLRNCQ-UHFFFAOYSA-N
• XLogP: 13.63
• TPSA: 147.05 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1682.03
LogP ≤ 5	13.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3H-furan-3-id-4-yl)pyrazole;tris(iridium);1-methyl-2-(4-phenylpyrrol-1-id-2-yl)imidazole;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;bis(1-(2H-thiophen-2-id-3-yl)pyrazole)?

The IUPAC name of 1-(3H-furan-3-id-4-yl)pyrazole;tris(iridium);1-methyl-2-(4-phenylpyrrol-1-id-2-yl)imidazole;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;bis(1-(2H-thiophen-2-id-3-yl)pyrazole) (CID 159524517) is 1-(3H-furan-3-id-4-yl)pyrazole;tris(iridium);1-methyl-2-(4-phenylpyrrol-1-id-2-yl)imidazole;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;bis(1-(2H-thiophen-2-id-3-yl)pyrazole).

What is the SMILES notation for 1-(3H-furan-3-id-4-yl)pyrazole;tris(iridium);1-methyl-2-(4-phenylpyrrol-1-id-2-yl)imidazole;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;bis(1-(2H-thiophen-2-id-3-yl)pyrazole)?

The canonical SMILES for 1-(3H-furan-3-id-4-yl)pyrazole;tris(iridium);1-methyl-2-(4-phenylpyrrol-1-id-2-yl)imidazole;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;bis(1-(2H-thiophen-2-id-3-yl)pyrazole) is Cn1ccnc1-c1cc(-c2ccccc2)c[n-]1.[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)n1-c1nccs1.[c-]1cocc1-n1cccn1.[c-]1ncc(-c2ccccc2)n1-c1cscn1.[c-]1sccc1-n1cccn1.[c-]1sccc1-n1cccn1.

What is the InChIKey of 1-(3H-furan-3-id-4-yl)pyrazole;tris(iridium);1-methyl-2-(4-phenylpyrrol-1-id-2-yl)imidazole;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;bis(1-(2H-thiophen-2-id-3-yl)pyrazole)?

The InChIKey is GKQJTVLWPLRNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N3.C13H9N2S.C12H8N3S.C7H5N2O.2C7H5N2S.3Ir/c1-17-8-7-15-14(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;3*1-3-8-9(4-1)7-2-5-10-6-7;;;/h2-10H,1H3;1-8,10H;1-7,9H;1,3-6H;2*1-5H;;;/q6*-1;;;.

What are the key properties of 1-(3H-furan-3-id-4-yl)pyrazole;tris(iridium);1-methyl-2-(4-phenylpyrrol-1-id-2-yl)imidazole;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;bis(1-(2H-thiophen-2-id-3-yl)pyrazole)?

1-(3H-furan-3-id-4-yl)pyrazole;tris(iridium);1-methyl-2-(4-phenylpyrrol-1-id-2-yl)imidazole;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;bis(1-(2H-thiophen-2-id-3-yl)pyrazole) has a molecular weight of 1682.03 g/mol, XLogP of 13.63, 9 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3H-furan-3-id-4-yl)pyrazole;tris(iridium);1-methyl-2-(4-phenylpyrrol-1-id-2-yl)imidazole;4-(5-phenyl-2H-imidazol-2-id-1-yl)-1,3-thiazole;2-(5-phenyl-2H-pyrrol-2-id-1-yl)-1,3-thiazole;bis(1-(2H-thiophen-2-id-3-yl)pyrazole) is sourced from PubChem (CID 159524517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).