1-(3H-dibenzofuran-3-id-4-yl)pyrazole;3-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-fluorobenzene-4-ide-1-carbonitrile;1-(2,6-dimethylphenyl)-3-isocyano-5-phenyl-1,2,4-triazole;bis(1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)imidazole-4-carbonitrile);1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluorobenzene-6-id-1-yl)-1,2,4-triazole-3-carbonitrile;1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluoro-3-isocyanobenzene-6-id-1-yl)imidazole-4-carbonitrile;1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluoro-3-isocyanobenzene-6-id-1-yl)-1,2,4-triazole-3-carbonitrile;1-(2-fluorobenzene-6-id-1-yl)-3-isocyanopyrazole;tetrakis(iridium);iridium(3+);1-isocyano-3-phenyl-2H-benzimidazol-2-ide;methane

C187H162F7Ir5N34O-8 — CID 157262355

About 1-(3H-dibenzofuran-3-id-4-yl)pyrazole;3-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-fluorobenzene-4-ide-1-carbonitrile;1-(2,6-dimethylphenyl)-3-isocyano-5-phenyl-1,2,4-triazole;bis(1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)imidazole-4-carbonitrile);1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluorobenzene-6-id-1-yl)-1,2,4-triazole-3-carbonitrile;1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluoro-3-isocyanobenzene-6-id-1-yl)imidazole-4-carbonitrile;1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluoro-3-isocyanobenzene-6-id-1-yl)-1,2,4-triazole-3-carbonitrile;1-(2-fluorobenzene-6-id-1-yl)-3-isocyanopyrazole;tetrakis(iridium);iridium(3+);1-isocyano-3-phenyl-2H-benzimidazol-2-ide;methane

1-(3H-dibenzofuran-3-id-4-yl)pyrazole;3-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-fluorobenzene-4-ide-1-carbonitrile;1-(2,6-dimethylphenyl)-3-isocyano-5-phenyl-1,2,4-triazole;bis(1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)imidazole-4-carbonitrile);1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluorobenzene-6-id-1-yl)-1,2,4-triazole-3-carbonitrile;1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluoro-3-isocyanobenzene-6-id-1-yl)imidazole-4-carbonitrile;1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluoro-3-isocyanobenzene-6-id-1-yl)-1,2,4-triazole-3-carbonitrile;1-(2-fluorobenzene-6-id-1-yl)-3-isocyanopyrazole;tetrakis(iridium);iridium(3+);1-isocyano-3-phenyl-2H-benzimidazol-2-ide;methane (PubChem CID 157262355) has the molecular formula C187H162F7Ir5N34O-8 and a molecular weight of 3995.66 g/mol. Its IUPAC name is 1-(3H-dibenzofuran-3-id-4-yl)pyrazole;3-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-fluorobenzene-4-ide-1-carbonitrile;1-(2,6-dimethylphenyl)-3-isocyano-5-phenyl-1,2,4-triazole;bis(1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)imidazole-4-carbonitrile);1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluorobenzene-6-id-1-yl)-1,2,4-triazole-3-carbonitrile;1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluoro-3-isocyanobenzene-6-id-1-yl)imidazole-4-carbonitrile;1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluoro-3-isocyanobenzene-6-id-1-yl)-1,2,4-triazole-3-carbonitrile;1-(2-fluorobenzene-6-id-1-yl)-3-isocyanopyrazole;tetrakis(iridium);iridium(3+);1-isocyano-3-phenyl-2H-benzimidazol-2-ide;methane.

Molecular Properties

• Compound Name: 1-(3H-dibenzofuran-3-id-4-yl)pyrazole;3-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-fluorobenzene-4-ide-1-carbonitrile;1-(2,6-dimethylphenyl)-3-isocyano-5-phenyl-1,2,4-triazole;bis(1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)imidazole-4-carbonitrile);1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluorobenzene-6-id-1-yl)-1,2,4-triazole-3-carbonitrile;1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluoro-3-isocyanobenzene-6-id-1-yl)imidazole-4-carbonitrile;1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluoro-3-isocyanobenzene-6-id-1-yl)-1,2,4-triazole-3-carbonitrile;1-(2-fluorobenzene-6-id-1-yl)-3-isocyanopyrazole;tetrakis(iridium);iridium(3+);1-isocyano-3-phenyl-2H-benzimidazol-2-ide;methane
• PubChem CID: 157262355
• Molecular Formula: C187H162F7Ir5N34O-8
• Molecular Weight: 3995.66 g/mol
• Exact Mass: 3997.17
• IUPAC Name: 1-(3H-dibenzofuran-3-id-4-yl)pyrazole;3-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-fluorobenzene-4-ide-1-carbonitrile;1-(2,6-dimethylphenyl)-3-isocyano-5-phenyl-1,2,4-triazole;bis(1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)imidazole-4-carbonitrile);1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluorobenzene-6-id-1-yl)-1,2,4-triazole-3-carbonitrile;1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluoro-3-isocyanobenzene-6-id-1-yl)imidazole-4-carbonitrile;1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluoro-3-isocyanobenzene-6-id-1-yl)-1,2,4-triazole-3-carbonitrile;1-(2-fluorobenzene-6-id-1-yl)-3-isocyanopyrazole;tetrakis(iridium);iridium(3+);1-isocyano-3-phenyl-2H-benzimidazol-2-ide;methane
• SMILES: C.C.C.CC(C)c1cccc(C(C)C)c1-n1cc(C#N)nc1-c1[c-]cccc1F.CC(C)c1cccc(C(C)C)c1-n1cc(C#N)nc1-c1[c-]cccc1F.CC(C)c1cccc(C(C)C)c1-n1nc(C#N)nc1-c1[c-]cccc1F.Cc1cccc(C)c1-n1ccnc1-c1[c-]ccc(C#N)c1F.[C-]#[N+]N1[CH-]N(c2[c-]cccc2)c2ccccc21.[C-]#[N+]c1cc[c-]c(-c2nc(C#N)cn2-c2c(C(C)C)cccc2C(C)C)c1F.[C-]#[N+]c1cc[c-]c(-c2nc(C#N)nn2-c2c(C(C)C)cccc2C(C)C)c1F.[C-]#[N+]c1ccn(-c2[c-]cccc2F)n1.[C-]#[N+]c1nc(-c2[c-]cccc2)n(-c2c(C)cccc2C)n1.[Ir+3].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-n1cccn1
• InChI: InChI=1S/C23H20FN4.C22H19FN5.2C22H21FN3.C21H20FN4.C18H13FN3.C17H13N4.C15H9N2O.C14H9N3.C10H5FN3.3CH4.5Ir/c1-14(2)17-8-6-9-18(15(3)4)22(17)28-13-16(12-25)27-23(28)19-10-7-11-20(26-5)21(19)24;1-13(2)15-8-6-9-16(14(3)4)21(15)28-22(26-19(12-24)27-28)17-10-7-11-18(25-5)20(17)23;2*1-14(2)17-9-7-10-18(15(3)4)21(17)26-13-16(12-24)25-22(26)19-8-5-6-11-20(19)23;1-13(2)15-9-7-10-16(14(3)4)20(15)26-21(24-19(12-23)25-26)17-8-5-6-11-18(17)22;1-12-5-3-6-13(2)17(12)22-10-9-21-18(22)15-8-4-7-14(11-20)16(15)19;1-12-8-7-9-13(2)15(12)21-16(19-17(18-3)20-21)14-10-5-4-6-11-14;1-2-8-14-11(5-1)12-6-3-7-13(15(12)18-14)17-10-4-9-16-17;1-15-17-11-16(12-7-3-2-4-8-12)13-9-5-6-10-14(13)17;1-12-10-6-7-14(13-10)9-5-3-2-4-8(9)11;;;;;;;;/h6-9,11,13-15H,1-4H3;6-9,11,13-14H,1-4H3;2*5-7,9-11,13-15H,1-4H3;5-7,9-11,13-14H,1-4H3;3-7,9-10H,1-2H3;4-10H,1-2H3;1-6,8-10H;2-7,9-11H;2-4,6-7H;3*1H4;;;;;/q8*-1;-2;-1;;;;;;;;+3
• InChIKey: PFJXXTZNHIURRF-UHFFFAOYSA-N
• XLogP: 46.97
• TPSA: 383.21 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 27
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3995.66
LogP ≤ 5	46.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3H-dibenzofuran-3-id-4-yl)pyrazole;3-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-fluorobenzene-4-ide-1-carbonitrile;1-(2,6-dimethylphenyl)-3-isocyano-5-phenyl-1,2,4-triazole;bis(1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)imidazole-4-carbonitrile);1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluorobenzene-6-id-1-yl)-1,2,4-triazole-3-carbonitrile;1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluoro-3-isocyanobenzene-6-id-1-yl)imidazole-4-carbonitrile;1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluoro-3-isocyanobenzene-6-id-1-yl)-1,2,4-triazole-3-carbonitrile;1-(2-fluorobenzene-6-id-1-yl)-3-isocyanopyrazole;tetrakis(iridium);iridium(3+);1-isocyano-3-phenyl-2H-benzimidazol-2-ide;methane?

The IUPAC name of 1-(3H-dibenzofuran-3-id-4-yl)pyrazole;3-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-fluorobenzene-4-ide-1-carbonitrile;1-(2,6-dimethylphenyl)-3-isocyano-5-phenyl-1,2,4-triazole;bis(1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)imidazole-4-carbonitrile);1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluorobenzene-6-id-1-yl)-1,2,4-triazole-3-carbonitrile;1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluoro-3-isocyanobenzene-6-id-1-yl)imidazole-4-carbonitrile;1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluoro-3-isocyanobenzene-6-id-1-yl)-1,2,4-triazole-3-carbonitrile;1-(2-fluorobenzene-6-id-1-yl)-3-isocyanopyrazole;tetrakis(iridium);iridium(3+);1-isocyano-3-phenyl-2H-benzimidazol-2-ide;methane (CID 157262355) is 1-(3H-dibenzofuran-3-id-4-yl)pyrazole;3-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-fluorobenzene-4-ide-1-carbonitrile;1-(2,6-dimethylphenyl)-3-isocyano-5-phenyl-1,2,4-triazole;bis(1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)imidazole-4-carbonitrile);1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluorobenzene-6-id-1-yl)-1,2,4-triazole-3-carbonitrile;1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluoro-3-isocyanobenzene-6-id-1-yl)imidazole-4-carbonitrile;1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluoro-3-isocyanobenzene-6-id-1-yl)-1,2,4-triazole-3-carbonitrile;1-(2-fluorobenzene-6-id-1-yl)-3-isocyanopyrazole;tetrakis(iridium);iridium(3+);1-isocyano-3-phenyl-2H-benzimidazol-2-ide;methane.

What is the SMILES notation for 1-(3H-dibenzofuran-3-id-4-yl)pyrazole;3-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-fluorobenzene-4-ide-1-carbonitrile;1-(2,6-dimethylphenyl)-3-isocyano-5-phenyl-1,2,4-triazole;bis(1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)imidazole-4-carbonitrile);1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluorobenzene-6-id-1-yl)-1,2,4-triazole-3-carbonitrile;1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluoro-3-isocyanobenzene-6-id-1-yl)imidazole-4-carbonitrile;1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluoro-3-isocyanobenzene-6-id-1-yl)-1,2,4-triazole-3-carbonitrile;1-(2-fluorobenzene-6-id-1-yl)-3-isocyanopyrazole;tetrakis(iridium);iridium(3+);1-isocyano-3-phenyl-2H-benzimidazol-2-ide;methane?

The canonical SMILES for 1-(3H-dibenzofuran-3-id-4-yl)pyrazole;3-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-fluorobenzene-4-ide-1-carbonitrile;1-(2,6-dimethylphenyl)-3-isocyano-5-phenyl-1,2,4-triazole;bis(1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)imidazole-4-carbonitrile);1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluorobenzene-6-id-1-yl)-1,2,4-triazole-3-carbonitrile;1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluoro-3-isocyanobenzene-6-id-1-yl)imidazole-4-carbonitrile;1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluoro-3-isocyanobenzene-6-id-1-yl)-1,2,4-triazole-3-carbonitrile;1-(2-fluorobenzene-6-id-1-yl)-3-isocyanopyrazole;tetrakis(iridium);iridium(3+);1-isocyano-3-phenyl-2H-benzimidazol-2-ide;methane is C.C.C.CC(C)c1cccc(C(C)C)c1-n1cc(C#N)nc1-c1[c-]cccc1F.CC(C)c1cccc(C(C)C)c1-n1cc(C#N)nc1-c1[c-]cccc1F.CC(C)c1cccc(C(C)C)c1-n1nc(C#N)nc1-c1[c-]cccc1F.Cc1cccc(C)c1-n1ccnc1-c1[c-]ccc(C#N)c1F.[C-]#[N+]N1[CH-]N(c2[c-]cccc2)c2ccccc21.[C-]#[N+]c1cc[c-]c(-c2nc(C#N)cn2-c2c(C(C)C)cccc2C(C)C)c1F.[C-]#[N+]c1cc[c-]c(-c2nc(C#N)nn2-c2c(C(C)C)cccc2C(C)C)c1F.[C-]#[N+]c1ccn(-c2[c-]cccc2F)n1.[C-]#[N+]c1nc(-c2[c-]cccc2)n(-c2c(C)cccc2C)n1.[Ir+3].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-n1cccn1.

What is the InChIKey of 1-(3H-dibenzofuran-3-id-4-yl)pyrazole;3-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-fluorobenzene-4-ide-1-carbonitrile;1-(2,6-dimethylphenyl)-3-isocyano-5-phenyl-1,2,4-triazole;bis(1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)imidazole-4-carbonitrile);1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluorobenzene-6-id-1-yl)-1,2,4-triazole-3-carbonitrile;1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluoro-3-isocyanobenzene-6-id-1-yl)imidazole-4-carbonitrile;1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluoro-3-isocyanobenzene-6-id-1-yl)-1,2,4-triazole-3-carbonitrile;1-(2-fluorobenzene-6-id-1-yl)-3-isocyanopyrazole;tetrakis(iridium);iridium(3+);1-isocyano-3-phenyl-2H-benzimidazol-2-ide;methane?

The InChIKey is PFJXXTZNHIURRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN4.C22H19FN5.2C22H21FN3.C21H20FN4.C18H13FN3.C17H13N4.C15H9N2O.C14H9N3.C10H5FN3.3CH4.5Ir/c1-14(2)17-8-6-9-18(15(3)4)22(17)28-13-16(12-25)27-23(28)19-10-7-11-20(26-5)21(19)24;1-13(2)15-8-6-9-16(14(3)4)21(15)28-22(26-19(12-24)27-28)17-10-7-11-18(25-5)20(17)23;2*1-14(2)17-9-7-10-18(15(3)4)21(17)26-13-16(12-24)25-22(26)19-8-5-6-11-20(19)23;1-13(2)15-9-7-10-16(14(3)4)20(15)26-21(24-19(12-23)25-26)17-8-5-6-11-18(17)22;1-12-5-3-6-13(2)17(12)22-10-9-21-18(22)15-8-4-7-14(11-20)16(15)19;1-12-8-7-9-13(2)15(12)21-16(19-17(18-3)20-21)14-10-5-4-6-11-14;1-2-8-14-11(5-1)12-6-3-7-13(15(12)18-14)17-10-4-9-16-17;1-15-17-11-16(12-7-3-2-4-8-12)13-9-5-6-10-14(13)17;1-12-10-6-7-14(13-10)9-5-3-2-4-8(9)11;;;;;;;;/h6-9,11,13-15H,1-4H3;6-9,11,13-14H,1-4H3;2*5-7,9-11,13-15H,1-4H3;5-7,9-11,13-14H,1-4H3;3-7,9-10H,1-2H3;4-10H,1-2H3;1-6,8-10H;2-7,9-11H;2-4,6-7H;3*1H4;;;;;/q8*-1;-2;-1;;;;;;;;+3.

What are the key properties of 1-(3H-dibenzofuran-3-id-4-yl)pyrazole;3-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-fluorobenzene-4-ide-1-carbonitrile;1-(2,6-dimethylphenyl)-3-isocyano-5-phenyl-1,2,4-triazole;bis(1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)imidazole-4-carbonitrile);1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluorobenzene-6-id-1-yl)-1,2,4-triazole-3-carbonitrile;1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluoro-3-isocyanobenzene-6-id-1-yl)imidazole-4-carbonitrile;1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluoro-3-isocyanobenzene-6-id-1-yl)-1,2,4-triazole-3-carbonitrile;1-(2-fluorobenzene-6-id-1-yl)-3-isocyanopyrazole;tetrakis(iridium);iridium(3+);1-isocyano-3-phenyl-2H-benzimidazol-2-ide;methane?

1-(3H-dibenzofuran-3-id-4-yl)pyrazole;3-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-fluorobenzene-4-ide-1-carbonitrile;1-(2,6-dimethylphenyl)-3-isocyano-5-phenyl-1,2,4-triazole;bis(1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)imidazole-4-carbonitrile);1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluorobenzene-6-id-1-yl)-1,2,4-triazole-3-carbonitrile;1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluoro-3-isocyanobenzene-6-id-1-yl)imidazole-4-carbonitrile;1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluoro-3-isocyanobenzene-6-id-1-yl)-1,2,4-triazole-3-carbonitrile;1-(2-fluorobenzene-6-id-1-yl)-3-isocyanopyrazole;tetrakis(iridium);iridium(3+);1-isocyano-3-phenyl-2H-benzimidazol-2-ide;methane has a molecular weight of 3995.66 g/mol, XLogP of 46.97, 27 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3H-dibenzofuran-3-id-4-yl)pyrazole;3-[1-(2,6-dimethylphenyl)imidazol-2-yl]-2-fluorobenzene-4-ide-1-carbonitrile;1-(2,6-dimethylphenyl)-3-isocyano-5-phenyl-1,2,4-triazole;bis(1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluorobenzene-6-id-1-yl)imidazole-4-carbonitrile);1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluorobenzene-6-id-1-yl)-1,2,4-triazole-3-carbonitrile;1-[2,6-di(propan-2-yl)phenyl]-2-(2-fluoro-3-isocyanobenzene-6-id-1-yl)imidazole-4-carbonitrile;1-[2,6-di(propan-2-yl)phenyl]-5-(2-fluoro-3-isocyanobenzene-6-id-1-yl)-1,2,4-triazole-3-carbonitrile;1-(2-fluorobenzene-6-id-1-yl)-3-isocyanopyrazole;tetrakis(iridium);iridium(3+);1-isocyano-3-phenyl-2H-benzimidazol-2-ide;methane is sourced from PubChem (CID 157262355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).