1-[7-(4,4-dimethylcyclohexyl)-2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzofuran-3-id-4-yl]-3-methyl-2H-imidazol-2-ide;2,6-di(phenyl)-4-trispiro[5.2.2.512.29.26]henicosan-15-ylpyridine;iridium;bis(iridium(3+));4-[4-(4-methylphenyl)phenyl]-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(4-methylphenyl)-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-phenylpyridine;4-(4-phenylphenyl)-2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine

C201H174Ir3N11O-5 — CID 162248402

About 1-[7-(4,4-dimethylcyclohexyl)-2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzofuran-3-id-4-yl]-3-methyl-2H-imidazol-2-ide;2,6-di(phenyl)-4-trispiro[5.2.2.512.29.26]henicosan-15-ylpyridine;iridium;bis(iridium(3+));4-[4-(4-methylphenyl)phenyl]-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(4-methylphenyl)-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-phenylpyridine;4-(4-phenylphenyl)-2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine

1-[7-(4,4-dimethylcyclohexyl)-2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzofuran-3-id-4-yl]-3-methyl-2H-imidazol-2-ide;2,6-di(phenyl)-4-trispiro[5.2.2.512.29.26]henicosan-15-ylpyridine;iridium;bis(iridium(3+));4-[4-(4-methylphenyl)phenyl]-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(4-methylphenyl)-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-phenylpyridine;4-(4-phenylphenyl)-2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine (PubChem CID 162248402) has the molecular formula C201H174Ir3N11O-5 and a molecular weight of 3339.35 g/mol. Its IUPAC name is 1-[7-(4,4-dimethylcyclohexyl)-2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzofuran-3-id-4-yl]-3-methyl-2H-imidazol-2-ide;2,6-di(phenyl)-4-trispiro[5.2.2.512.29.26]henicosan-15-ylpyridine;iridium;bis(iridium(3+));4-[4-(4-methylphenyl)phenyl]-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(4-methylphenyl)-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-phenylpyridine;4-(4-phenylphenyl)-2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine.

Molecular Properties

• Compound Name: 1-[7-(4,4-dimethylcyclohexyl)-2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzofuran-3-id-4-yl]-3-methyl-2H-imidazol-2-ide;2,6-di(phenyl)-4-trispiro[5.2.2.512.29.26]henicosan-15-ylpyridine;iridium;bis(iridium(3+));4-[4-(4-methylphenyl)phenyl]-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(4-methylphenyl)-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-phenylpyridine;4-(4-phenylphenyl)-2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine
• PubChem CID: 162248402
• Molecular Formula: C201H174Ir3N11O-5
• Molecular Weight: 3339.35 g/mol
• Exact Mass: 3339.30
• IUPAC Name: 1-[7-(4,4-dimethylcyclohexyl)-2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzofuran-3-id-4-yl]-3-methyl-2H-imidazol-2-ide;2,6-di(phenyl)-4-trispiro[5.2.2.512.29.26]henicosan-15-ylpyridine;iridium;bis(iridium(3+));4-[4-(4-methylphenyl)phenyl]-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(4-methylphenyl)-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-phenylpyridine;4-(4-phenylphenyl)-2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine
• SMILES: CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)c3oc4cc(C5CCC(C)(C)CC5)ccc4c3c2)[CH-]1.Cc1ccc(-c2ccc(-c3ccnc(-c4[c-]ccc(-c5ccccc5)c4)c3)cc2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.[2H]C([2H])([2H])c1ccc(-c2cc[c-]c(-c3cc(-c4ccc(-c5ccccc5)cc4)ccn3)c2)cc1.[Ir+3].[Ir+3].[Ir].[c-]1ccc(-c2ccc(-c3ccccc3)cc2)cc1-c1ccccn1.[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1cc(C2CCC3(CC2)CCC2(CCC4(CCCCC4)CC2)CC3)cc(-c2[c-]cccc2)n1
• InChI: InChI=1S/C38H45N.2C30H22N.C28H31N4O.C23H16N.C18H14N.2C17H12N.3Ir/c1-4-10-31(11-5-1)34-28-33(29-35(39-34)32-12-6-2-7-13-32)30-14-18-37(19-15-30)22-26-38(27-23-37)24-20-36(21-25-38)16-8-3-9-17-36;1-22-10-12-25(13-11-22)27-8-5-9-29(20-27)30-21-28(18-19-31-30)26-16-14-24(15-17-26)23-6-3-2-4-7-23;1-22-10-12-24(13-11-22)25-14-16-26(17-15-25)28-18-19-31-30(21-28)29-9-5-8-27(20-29)23-6-3-2-4-7-23;1-28(2)9-7-20(8-10-28)21-5-6-23-24-16-22(31-13-11-29(3)18-31)17-25(27(24)33-26(23)15-21)32-14-12-30(4)19-32;1-2-7-18(8-3-1)19-12-14-20(15-13-19)21-9-6-10-22(17-21)23-11-4-5-16-24-23;1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;;;/h1-2,4-7,10,12,28-30H,3,8-9,14-27H2;2*2-8,10-21H,1H3;5-6,11-16,18-20H,7-10H2,1-4H3;1-9,11-17H;2-5,7-13H,1H3;2*1-9,11-13H;;;/q-2;2*-1;-3;4*-1;;2*+3/i;1D3
• InChIKey: LDQWIYWOAMKXIB-VPDZZBEBSA-N
• XLogP: 52.05
• TPSA: 116.33 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3339.35
LogP ≤ 5	52.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[7-(4,4-dimethylcyclohexyl)-2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzofuran-3-id-4-yl]-3-methyl-2H-imidazol-2-ide;2,6-di(phenyl)-4-trispiro[5.2.2.512.29.26]henicosan-15-ylpyridine;iridium;bis(iridium(3+));4-[4-(4-methylphenyl)phenyl]-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(4-methylphenyl)-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-phenylpyridine;4-(4-phenylphenyl)-2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine?

The IUPAC name of 1-[7-(4,4-dimethylcyclohexyl)-2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzofuran-3-id-4-yl]-3-methyl-2H-imidazol-2-ide;2,6-di(phenyl)-4-trispiro[5.2.2.512.29.26]henicosan-15-ylpyridine;iridium;bis(iridium(3+));4-[4-(4-methylphenyl)phenyl]-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(4-methylphenyl)-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-phenylpyridine;4-(4-phenylphenyl)-2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine (CID 162248402) is 1-[7-(4,4-dimethylcyclohexyl)-2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzofuran-3-id-4-yl]-3-methyl-2H-imidazol-2-ide;2,6-di(phenyl)-4-trispiro[5.2.2.512.29.26]henicosan-15-ylpyridine;iridium;bis(iridium(3+));4-[4-(4-methylphenyl)phenyl]-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(4-methylphenyl)-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-phenylpyridine;4-(4-phenylphenyl)-2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine.

What is the SMILES notation for 1-[7-(4,4-dimethylcyclohexyl)-2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzofuran-3-id-4-yl]-3-methyl-2H-imidazol-2-ide;2,6-di(phenyl)-4-trispiro[5.2.2.512.29.26]henicosan-15-ylpyridine;iridium;bis(iridium(3+));4-[4-(4-methylphenyl)phenyl]-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(4-methylphenyl)-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-phenylpyridine;4-(4-phenylphenyl)-2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine?

The canonical SMILES for 1-[7-(4,4-dimethylcyclohexyl)-2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzofuran-3-id-4-yl]-3-methyl-2H-imidazol-2-ide;2,6-di(phenyl)-4-trispiro[5.2.2.512.29.26]henicosan-15-ylpyridine;iridium;bis(iridium(3+));4-[4-(4-methylphenyl)phenyl]-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(4-methylphenyl)-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-phenylpyridine;4-(4-phenylphenyl)-2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine is CN1C=CN(c2[c-]c(N3C=CN(C)[CH-]3)c3oc4cc(C5CCC(C)(C)CC5)ccc4c3c2)[CH-]1.Cc1ccc(-c2ccc(-c3ccnc(-c4[c-]ccc(-c5ccccc5)c4)c3)cc2)cc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.[2H]C([2H])([2H])c1ccc(-c2cc[c-]c(-c3cc(-c4ccc(-c5ccccc5)cc4)ccn3)c2)cc1.[Ir+3].[Ir+3].[Ir].[c-]1ccc(-c2ccc(-c3ccccc3)cc2)cc1-c1ccccn1.[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1cc(C2CCC3(CC2)CCC2(CCC4(CCCCC4)CC2)CC3)cc(-c2[c-]cccc2)n1.

What is the InChIKey of 1-[7-(4,4-dimethylcyclohexyl)-2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzofuran-3-id-4-yl]-3-methyl-2H-imidazol-2-ide;2,6-di(phenyl)-4-trispiro[5.2.2.512.29.26]henicosan-15-ylpyridine;iridium;bis(iridium(3+));4-[4-(4-methylphenyl)phenyl]-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(4-methylphenyl)-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-phenylpyridine;4-(4-phenylphenyl)-2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine?

The InChIKey is LDQWIYWOAMKXIB-VPDZZBEBSA-N. The full InChI is InChI=1S/C38H45N.2C30H22N.C28H31N4O.C23H16N.C18H14N.2C17H12N.3Ir/c1-4-10-31(11-5-1)34-28-33(29-35(39-34)32-12-6-2-7-13-32)30-14-18-37(19-15-30)22-26-38(27-23-37)24-20-36(21-25-38)16-8-3-9-17-36;1-22-10-12-25(13-11-22)27-8-5-9-29(20-27)30-21-28(18-19-31-30)26-16-14-24(15-17-26)23-6-3-2-4-7-23;1-22-10-12-24(13-11-22)25-14-16-26(17-15-25)28-18-19-31-30(21-28)29-9-5-8-27(20-29)23-6-3-2-4-7-23;1-28(2)9-7-20(8-10-28)21-5-6-23-24-16-22(31-13-11-29(3)18-31)17-25(27(24)33-26(23)15-21)32-14-12-30(4)19-32;1-2-7-18(8-3-1)19-12-14-20(15-13-19)21-9-6-10-22(17-21)23-11-4-5-16-24-23;1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;;;/h1-2,4-7,10,12,28-30H,3,8-9,14-27H2;2*2-8,10-21H,1H3;5-6,11-16,18-20H,7-10H2,1-4H3;1-9,11-17H;2-5,7-13H,1H3;2*1-9,11-13H;;;/q-2;2*-1;-3;4*-1;;2*+3/i;1D3;;;;;;;;;.

What are the key properties of 1-[7-(4,4-dimethylcyclohexyl)-2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzofuran-3-id-4-yl]-3-methyl-2H-imidazol-2-ide;2,6-di(phenyl)-4-trispiro[5.2.2.512.29.26]henicosan-15-ylpyridine;iridium;bis(iridium(3+));4-[4-(4-methylphenyl)phenyl]-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(4-methylphenyl)-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-phenylpyridine;4-(4-phenylphenyl)-2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine?

1-[7-(4,4-dimethylcyclohexyl)-2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzofuran-3-id-4-yl]-3-methyl-2H-imidazol-2-ide;2,6-di(phenyl)-4-trispiro[5.2.2.512.29.26]henicosan-15-ylpyridine;iridium;bis(iridium(3+));4-[4-(4-methylphenyl)phenyl]-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(4-methylphenyl)-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-phenylpyridine;4-(4-phenylphenyl)-2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine has a molecular weight of 3339.35 g/mol, XLogP of 52.05, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-(4,4-dimethylcyclohexyl)-2-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzofuran-3-id-4-yl]-3-methyl-2H-imidazol-2-ide;2,6-di(phenyl)-4-trispiro[5.2.2.512.29.26]henicosan-15-ylpyridine;iridium;bis(iridium(3+));4-[4-(4-methylphenyl)phenyl]-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(4-methylphenyl)-2-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-[3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine;4-phenyl-2-phenylpyridine;4-(4-phenylphenyl)-2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 162248402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).