carbanide;1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;bis(1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole);3,5-dimethyl-1-phenylpyrazole;iridium;bis(iridium(3+));1-phenylpyrazole;2-phenyl-1,3-thiazole

C102H89Ir3N11OS-2 — CID 157223327

About carbanide;1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;bis(1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole);3,5-dimethyl-1-phenylpyrazole;iridium;bis(iridium(3+));1-phenylpyrazole;2-phenyl-1,3-thiazole

carbanide;1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;bis(1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole);3,5-dimethyl-1-phenylpyrazole;iridium;bis(iridium(3+));1-phenylpyrazole;2-phenyl-1,3-thiazole (PubChem CID 157223327) has the molecular formula C102H89Ir3N11OS-2 and a molecular weight of 2093.63 g/mol. Its IUPAC name is carbanide;1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;bis(1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole);3,5-dimethyl-1-phenylpyrazole;iridium;bis(iridium(3+));1-phenylpyrazole;2-phenyl-1,3-thiazole.

Molecular Properties

• Compound Name: carbanide;1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;bis(1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole);3,5-dimethyl-1-phenylpyrazole;iridium;bis(iridium(3+));1-phenylpyrazole;2-phenyl-1,3-thiazole
• PubChem CID: 157223327
• Molecular Formula: C102H89Ir3N11OS-2
• Molecular Weight: 2093.63 g/mol
• Exact Mass: 2094.59
• IUPAC Name: carbanide;1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;bis(1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole);3,5-dimethyl-1-phenylpyrazole;iridium;bis(iridium(3+));1-phenylpyrazole;2-phenyl-1,3-thiazole
• SMILES: Cc1cc(C)n(-c2[c-]cc(-c3c(C)cc(-c4ccccc4)cc3C)cc2)n1.Cc1cc(C)n(-c2[c-]cc(-c3c(C)cc(-c4ccccc4)cc3C)cc2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.[CH3-].[CH3-].[Ir+3].[Ir+3].[Ir].[c-]1cc(-c2ccc3c(c2)oc2ccccc23)ccc1-n1cccn1.[c-]1ccccc1-c1nccs1.[c-]1ccccc1-n1cccn1
• InChI: InChI=1S/2C25H23N2.C21H13N2O.C11H11N2.C9H7N2.C9H6NS.2CH3.3Ir/c2*1-17-14-23(21-8-6-5-7-9-21)15-18(2)25(17)22-10-12-24(13-11-22)27-20(4)16-19(3)26-27;1-2-5-20-18(4-1)19-11-8-16(14-21(19)24-20)15-6-9-17(10-7-15)23-13-3-12-22-23;1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;1-2-5-9(6-3-1)11-8-4-7-10-11;1-2-4-8(5-3-1)9-10-6-7-11-9;;;;;/h2*5-12,14-16H,1-4H3;1-9,11-14H;3-6,8H,1-2H3;1-5,7-8H;1-4,6-7H;2*1H3;;;/q8*-1;;2*+3
• InChIKey: WJPXPIRPJBXSME-UHFFFAOYSA-N
• XLogP: 25.18
• TPSA: 115.13 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2093.63
LogP ≤ 5	25.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;bis(1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole);3,5-dimethyl-1-phenylpyrazole;iridium;bis(iridium(3+));1-phenylpyrazole;2-phenyl-1,3-thiazole?

The IUPAC name of carbanide;1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;bis(1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole);3,5-dimethyl-1-phenylpyrazole;iridium;bis(iridium(3+));1-phenylpyrazole;2-phenyl-1,3-thiazole (CID 157223327) is carbanide;1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;bis(1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole);3,5-dimethyl-1-phenylpyrazole;iridium;bis(iridium(3+));1-phenylpyrazole;2-phenyl-1,3-thiazole.

What is the SMILES notation for carbanide;1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;bis(1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole);3,5-dimethyl-1-phenylpyrazole;iridium;bis(iridium(3+));1-phenylpyrazole;2-phenyl-1,3-thiazole?

The canonical SMILES for carbanide;1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;bis(1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole);3,5-dimethyl-1-phenylpyrazole;iridium;bis(iridium(3+));1-phenylpyrazole;2-phenyl-1,3-thiazole is Cc1cc(C)n(-c2[c-]cc(-c3c(C)cc(-c4ccccc4)cc3C)cc2)n1.Cc1cc(C)n(-c2[c-]cc(-c3c(C)cc(-c4ccccc4)cc3C)cc2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.[CH3-].[CH3-].[Ir+3].[Ir+3].[Ir].[c-]1cc(-c2ccc3c(c2)oc2ccccc23)ccc1-n1cccn1.[c-]1ccccc1-c1nccs1.[c-]1ccccc1-n1cccn1.

What is the InChIKey of carbanide;1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;bis(1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole);3,5-dimethyl-1-phenylpyrazole;iridium;bis(iridium(3+));1-phenylpyrazole;2-phenyl-1,3-thiazole?

The InChIKey is WJPXPIRPJBXSME-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H23N2.C21H13N2O.C11H11N2.C9H7N2.C9H6NS.2CH3.3Ir/c2*1-17-14-23(21-8-6-5-7-9-21)15-18(2)25(17)22-10-12-24(13-11-22)27-20(4)16-19(3)26-27;1-2-5-20-18(4-1)19-11-8-16(14-21(19)24-20)15-6-9-17(10-7-15)23-13-3-12-22-23;1-9-8-10(2)13(12-9)11-6-4-3-5-7-11;1-2-5-9(6-3-1)11-8-4-7-10-11;1-2-4-8(5-3-1)9-10-6-7-11-9;;;;;/h2*5-12,14-16H,1-4H3;1-9,11-14H;3-6,8H,1-2H3;1-5,7-8H;1-4,6-7H;2*1H3;;;/q8*-1;;2*+3.

What are the key properties of carbanide;1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;bis(1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole);3,5-dimethyl-1-phenylpyrazole;iridium;bis(iridium(3+));1-phenylpyrazole;2-phenyl-1,3-thiazole?

carbanide;1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;bis(1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole);3,5-dimethyl-1-phenylpyrazole;iridium;bis(iridium(3+));1-phenylpyrazole;2-phenyl-1,3-thiazole has a molecular weight of 2093.63 g/mol, XLogP of 25.18, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)pyrazole;bis(1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3,5-dimethylpyrazole);3,5-dimethyl-1-phenylpyrazole;iridium;bis(iridium(3+));1-phenylpyrazole;2-phenyl-1,3-thiazole is sourced from PubChem (CID 157223327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).