2-(2H-1-benzofuran-2-id-3-yl)-1-(2,6-dimethyl-4-phenylphenyl)imidazole-4-carbonitrile;1-(2H-1-benzothiophen-2-id-3-yl)-5-[2,6-di(propan-2-yl)phenyl]pyrazole-3-carbonitrile;3-(3H-dibenzofuran-3-id-2-yl)-2H-benzimidazol-2-ide-1-carbonitrile;1-(2,6-dimethyl-4-phenoxyphenyl)-2-(1-phenyl-2H-indol-2-id-3-yl)imidazole-4-carbonitrile;tris(iridium);platinum(2+)

C102H74Ir3N13O3PtS-3 — CID 157185369

About 2-(2H-1-benzofuran-2-id-3-yl)-1-(2,6-dimethyl-4-phenylphenyl)imidazole-4-carbonitrile;1-(2H-1-benzothiophen-2-id-3-yl)-5-[2,6-di(propan-2-yl)phenyl]pyrazole-3-carbonitrile;3-(3H-dibenzofuran-3-id-2-yl)-2H-benzimidazol-2-ide-1-carbonitrile;1-(2,6-dimethyl-4-phenoxyphenyl)-2-(1-phenyl-2H-indol-2-id-3-yl)imidazole-4-carbonitrile;tris(iridium);platinum(2+)

2-(2H-1-benzofuran-2-id-3-yl)-1-(2,6-dimethyl-4-phenylphenyl)imidazole-4-carbonitrile;1-(2H-1-benzothiophen-2-id-3-yl)-5-[2,6-di(propan-2-yl)phenyl]pyrazole-3-carbonitrile;3-(3H-dibenzofuran-3-id-2-yl)-2H-benzimidazol-2-ide-1-carbonitrile;1-(2,6-dimethyl-4-phenoxyphenyl)-2-(1-phenyl-2H-indol-2-id-3-yl)imidazole-4-carbonitrile;tris(iridium);platinum(2+) (PubChem CID 157185369) has the molecular formula C102H74Ir3N13O3PtS-3 and a molecular weight of 2333.60 g/mol. Its IUPAC name is 2-(2H-1-benzofuran-2-id-3-yl)-1-(2,6-dimethyl-4-phenylphenyl)imidazole-4-carbonitrile;1-(2H-1-benzothiophen-2-id-3-yl)-5-[2,6-di(propan-2-yl)phenyl]pyrazole-3-carbonitrile;3-(3H-dibenzofuran-3-id-2-yl)-2H-benzimidazol-2-ide-1-carbonitrile;1-(2,6-dimethyl-4-phenoxyphenyl)-2-(1-phenyl-2H-indol-2-id-3-yl)imidazole-4-carbonitrile;tris(iridium);platinum(2+).

Molecular Properties

• Compound Name: 2-(2H-1-benzofuran-2-id-3-yl)-1-(2,6-dimethyl-4-phenylphenyl)imidazole-4-carbonitrile;1-(2H-1-benzothiophen-2-id-3-yl)-5-[2,6-di(propan-2-yl)phenyl]pyrazole-3-carbonitrile;3-(3H-dibenzofuran-3-id-2-yl)-2H-benzimidazol-2-ide-1-carbonitrile;1-(2,6-dimethyl-4-phenoxyphenyl)-2-(1-phenyl-2H-indol-2-id-3-yl)imidazole-4-carbonitrile;tris(iridium);platinum(2+)
• PubChem CID: 157185369
• Molecular Formula: C102H74Ir3N13O3PtS-3
• Molecular Weight: 2333.60 g/mol
• Exact Mass: 2334.43
• IUPAC Name: 2-(2H-1-benzofuran-2-id-3-yl)-1-(2,6-dimethyl-4-phenylphenyl)imidazole-4-carbonitrile;1-(2H-1-benzothiophen-2-id-3-yl)-5-[2,6-di(propan-2-yl)phenyl]pyrazole-3-carbonitrile;3-(3H-dibenzofuran-3-id-2-yl)-2H-benzimidazol-2-ide-1-carbonitrile;1-(2,6-dimethyl-4-phenoxyphenyl)-2-(1-phenyl-2H-indol-2-id-3-yl)imidazole-4-carbonitrile;tris(iridium);platinum(2+)
• SMILES: CC(C)c1cccc(C(C)C)c1-c1cc(C#N)nn1-c1[c-]sc2ccccc12.Cc1cc(-c2ccccc2)cc(C)c1-n1cc(C#N)nc1-c1[c-]oc2ccccc12.Cc1cc(Oc2ccccc2)cc(C)c1-n1cc(C#N)nc1-c1[c-]n(-c2ccccc2)c2ccccc12.N#CN1[CH-]N(c2[c-]cc3oc4ccccc4c3c2)c2ccccc21.[Ir].[Ir].[Ir].[Pt+2]
• InChI: InChI=1S/C32H23N4O.C26H18N3O.C24H22N3S.C20H11N3O.3Ir.Pt/c1-22-17-27(37-26-13-7-4-8-14-26)18-23(2)31(22)36-20-24(19-33)34-32(36)29-21-35(25-11-5-3-6-12-25)30-16-10-9-15-28(29)30;1-17-12-20(19-8-4-3-5-9-19)13-18(2)25(17)29-15-21(14-27)28-26(29)23-16-30-24-11-7-6-10-22(23)24;1-15(2)18-9-7-10-19(16(3)4)24(18)21-12-17(13-25)26-27(21)22-14-28-23-11-6-5-8-20(22)23;21-12-22-13-23(18-7-3-2-6-17(18)22)14-9-10-20-16(11-14)15-5-1-4-8-19(15)24-20;;;;/h3-18,20H,1-2H3;3-13,15H,1-2H3;5-12,15-16H,1-4H3;1-8,10-11,13H;;;;/q3*-1;-2;;;;+2
• InChIKey: MBYDGORFZHUZPK-UHFFFAOYSA-N
• XLogP: 25.41
• TPSA: 195.54 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2333.60
LogP ≤ 5	25.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2H-1-benzofuran-2-id-3-yl)-1-(2,6-dimethyl-4-phenylphenyl)imidazole-4-carbonitrile;1-(2H-1-benzothiophen-2-id-3-yl)-5-[2,6-di(propan-2-yl)phenyl]pyrazole-3-carbonitrile;3-(3H-dibenzofuran-3-id-2-yl)-2H-benzimidazol-2-ide-1-carbonitrile;1-(2,6-dimethyl-4-phenoxyphenyl)-2-(1-phenyl-2H-indol-2-id-3-yl)imidazole-4-carbonitrile;tris(iridium);platinum(2+)?

The IUPAC name of 2-(2H-1-benzofuran-2-id-3-yl)-1-(2,6-dimethyl-4-phenylphenyl)imidazole-4-carbonitrile;1-(2H-1-benzothiophen-2-id-3-yl)-5-[2,6-di(propan-2-yl)phenyl]pyrazole-3-carbonitrile;3-(3H-dibenzofuran-3-id-2-yl)-2H-benzimidazol-2-ide-1-carbonitrile;1-(2,6-dimethyl-4-phenoxyphenyl)-2-(1-phenyl-2H-indol-2-id-3-yl)imidazole-4-carbonitrile;tris(iridium);platinum(2+) (CID 157185369) is 2-(2H-1-benzofuran-2-id-3-yl)-1-(2,6-dimethyl-4-phenylphenyl)imidazole-4-carbonitrile;1-(2H-1-benzothiophen-2-id-3-yl)-5-[2,6-di(propan-2-yl)phenyl]pyrazole-3-carbonitrile;3-(3H-dibenzofuran-3-id-2-yl)-2H-benzimidazol-2-ide-1-carbonitrile;1-(2,6-dimethyl-4-phenoxyphenyl)-2-(1-phenyl-2H-indol-2-id-3-yl)imidazole-4-carbonitrile;tris(iridium);platinum(2+).

What is the SMILES notation for 2-(2H-1-benzofuran-2-id-3-yl)-1-(2,6-dimethyl-4-phenylphenyl)imidazole-4-carbonitrile;1-(2H-1-benzothiophen-2-id-3-yl)-5-[2,6-di(propan-2-yl)phenyl]pyrazole-3-carbonitrile;3-(3H-dibenzofuran-3-id-2-yl)-2H-benzimidazol-2-ide-1-carbonitrile;1-(2,6-dimethyl-4-phenoxyphenyl)-2-(1-phenyl-2H-indol-2-id-3-yl)imidazole-4-carbonitrile;tris(iridium);platinum(2+)?

The canonical SMILES for 2-(2H-1-benzofuran-2-id-3-yl)-1-(2,6-dimethyl-4-phenylphenyl)imidazole-4-carbonitrile;1-(2H-1-benzothiophen-2-id-3-yl)-5-[2,6-di(propan-2-yl)phenyl]pyrazole-3-carbonitrile;3-(3H-dibenzofuran-3-id-2-yl)-2H-benzimidazol-2-ide-1-carbonitrile;1-(2,6-dimethyl-4-phenoxyphenyl)-2-(1-phenyl-2H-indol-2-id-3-yl)imidazole-4-carbonitrile;tris(iridium);platinum(2+) is CC(C)c1cccc(C(C)C)c1-c1cc(C#N)nn1-c1[c-]sc2ccccc12.Cc1cc(-c2ccccc2)cc(C)c1-n1cc(C#N)nc1-c1[c-]oc2ccccc12.Cc1cc(Oc2ccccc2)cc(C)c1-n1cc(C#N)nc1-c1[c-]n(-c2ccccc2)c2ccccc12.N#CN1[CH-]N(c2[c-]cc3oc4ccccc4c3c2)c2ccccc21.[Ir].[Ir].[Ir].[Pt+2].

What is the InChIKey of 2-(2H-1-benzofuran-2-id-3-yl)-1-(2,6-dimethyl-4-phenylphenyl)imidazole-4-carbonitrile;1-(2H-1-benzothiophen-2-id-3-yl)-5-[2,6-di(propan-2-yl)phenyl]pyrazole-3-carbonitrile;3-(3H-dibenzofuran-3-id-2-yl)-2H-benzimidazol-2-ide-1-carbonitrile;1-(2,6-dimethyl-4-phenoxyphenyl)-2-(1-phenyl-2H-indol-2-id-3-yl)imidazole-4-carbonitrile;tris(iridium);platinum(2+)?

The InChIKey is MBYDGORFZHUZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N4O.C26H18N3O.C24H22N3S.C20H11N3O.3Ir.Pt/c1-22-17-27(37-26-13-7-4-8-14-26)18-23(2)31(22)36-20-24(19-33)34-32(36)29-21-35(25-11-5-3-6-12-25)30-16-10-9-15-28(29)30;1-17-12-20(19-8-4-3-5-9-19)13-18(2)25(17)29-15-21(14-27)28-26(29)23-16-30-24-11-7-6-10-22(23)24;1-15(2)18-9-7-10-19(16(3)4)24(18)21-12-17(13-25)26-27(21)22-14-28-23-11-6-5-8-20(22)23;21-12-22-13-23(18-7-3-2-6-17(18)22)14-9-10-20-16(11-14)15-5-1-4-8-19(15)24-20;;;;/h3-18,20H,1-2H3;3-13,15H,1-2H3;5-12,15-16H,1-4H3;1-8,10-11,13H;;;;/q3*-1;-2;;;;+2.

What are the key properties of 2-(2H-1-benzofuran-2-id-3-yl)-1-(2,6-dimethyl-4-phenylphenyl)imidazole-4-carbonitrile;1-(2H-1-benzothiophen-2-id-3-yl)-5-[2,6-di(propan-2-yl)phenyl]pyrazole-3-carbonitrile;3-(3H-dibenzofuran-3-id-2-yl)-2H-benzimidazol-2-ide-1-carbonitrile;1-(2,6-dimethyl-4-phenoxyphenyl)-2-(1-phenyl-2H-indol-2-id-3-yl)imidazole-4-carbonitrile;tris(iridium);platinum(2+)?

2-(2H-1-benzofuran-2-id-3-yl)-1-(2,6-dimethyl-4-phenylphenyl)imidazole-4-carbonitrile;1-(2H-1-benzothiophen-2-id-3-yl)-5-[2,6-di(propan-2-yl)phenyl]pyrazole-3-carbonitrile;3-(3H-dibenzofuran-3-id-2-yl)-2H-benzimidazol-2-ide-1-carbonitrile;1-(2,6-dimethyl-4-phenoxyphenyl)-2-(1-phenyl-2H-indol-2-id-3-yl)imidazole-4-carbonitrile;tris(iridium);platinum(2+) has a molecular weight of 2333.60 g/mol, XLogP of 25.41, 13 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2H-1-benzofuran-2-id-3-yl)-1-(2,6-dimethyl-4-phenylphenyl)imidazole-4-carbonitrile;1-(2H-1-benzothiophen-2-id-3-yl)-5-[2,6-di(propan-2-yl)phenyl]pyrazole-3-carbonitrile;3-(3H-dibenzofuran-3-id-2-yl)-2H-benzimidazol-2-ide-1-carbonitrile;1-(2,6-dimethyl-4-phenoxyphenyl)-2-(1-phenyl-2H-indol-2-id-3-yl)imidazole-4-carbonitrile;tris(iridium);platinum(2+) is sourced from PubChem (CID 157185369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).