carbanide;4,5-dimethyl-2-phenylpyridine;tris(iridium);iridium(3+);2-methyl-8-(4-methyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-phenyl-4,5-bis(trideuteriomethyl)pyridine);2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole

C129H109Ir4N12O3-6 — CID 157049502

About carbanide;4,5-dimethyl-2-phenylpyridine;tris(iridium);iridium(3+);2-methyl-8-(4-methyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-phenyl-4,5-bis(trideuteriomethyl)pyridine);2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole

carbanide;4,5-dimethyl-2-phenylpyridine;tris(iridium);iridium(3+);2-methyl-8-(4-methyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-phenyl-4,5-bis(trideuteriomethyl)pyridine);2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole (PubChem CID 157049502) has the molecular formula C129H109Ir4N12O3-6 and a molecular weight of 2660.34 g/mol. Its IUPAC name is carbanide;4,5-dimethyl-2-phenylpyridine;tris(iridium);iridium(3+);2-methyl-8-(4-methyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-phenyl-4,5-bis(trideuteriomethyl)pyridine);2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole.

Molecular Properties

• Compound Name: carbanide;4,5-dimethyl-2-phenylpyridine;tris(iridium);iridium(3+);2-methyl-8-(4-methyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-phenyl-4,5-bis(trideuteriomethyl)pyridine);2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole
• PubChem CID: 157049502
• Molecular Formula: C129H109Ir4N12O3-6
• Molecular Weight: 2660.34 g/mol
• Exact Mass: 2661.83
• IUPAC Name: carbanide;4,5-dimethyl-2-phenylpyridine;tris(iridium);iridium(3+);2-methyl-8-(4-methyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-phenyl-4,5-bis(trideuteriomethyl)pyridine);2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole
• SMILES: CC(C)c1ccccc1-n1c(-c2[c-]cccc2)nc2ccccc21.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc2c(n1)oc1c(-c3ccccn3)[c-]ccc12.Cc1ccnc(-c2[c-]ccc3c2oc2nc(C)ccc23)c1.Cc1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])C([2H])(C)c1ccnc(-c2[c-]ccc3c2oc2nc(C)ccc23)c1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C([2H])([2H])[2H].[CH3-].[Ir+3].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C22H19N2.C20H17N2O.C18H13N2O.C17H11N2O.3C13H12N.C12H10N.CH3.4Ir/c1-16(2)18-12-6-8-14-20(18)24-21-15-9-7-13-19(21)23-22(24)17-10-4-3-5-11-17;1-12(2)14-9-10-21-18(11-14)17-6-4-5-15-16-8-7-13(3)22-20(16)23-19(15)17;1-11-8-9-19-16(10-11)15-5-3-4-13-14-7-6-12(2)20-18(14)21-17(13)15;1-11-8-9-13-12-5-4-6-14(15-7-2-3-10-18-15)16(12)20-17(13)19-11;3*1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;;/h3-10,12-16H,1-2H3;4-5,7-12H,1-3H3;3-4,6-10H,1-2H3;2-5,7-10H,1H3;3*3-6,8-9H,1-2H3;2-5,7-9H,1H3;1H3;;;;/q9*-1;;;;+3/i;1D3,12D;;;2*1D3,2D3
• InChIKey: CKMBINDTFADEOV-SOFPMKPXSA-N
• XLogP: 32.30
• TPSA: 186.14 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2660.34
LogP ≤ 5	32.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;4,5-dimethyl-2-phenylpyridine;tris(iridium);iridium(3+);2-methyl-8-(4-methyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-phenyl-4,5-bis(trideuteriomethyl)pyridine);2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole?

The IUPAC name of carbanide;4,5-dimethyl-2-phenylpyridine;tris(iridium);iridium(3+);2-methyl-8-(4-methyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-phenyl-4,5-bis(trideuteriomethyl)pyridine);2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole (CID 157049502) is carbanide;4,5-dimethyl-2-phenylpyridine;tris(iridium);iridium(3+);2-methyl-8-(4-methyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-phenyl-4,5-bis(trideuteriomethyl)pyridine);2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole.

What is the SMILES notation for carbanide;4,5-dimethyl-2-phenylpyridine;tris(iridium);iridium(3+);2-methyl-8-(4-methyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-phenyl-4,5-bis(trideuteriomethyl)pyridine);2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole?

The canonical SMILES for carbanide;4,5-dimethyl-2-phenylpyridine;tris(iridium);iridium(3+);2-methyl-8-(4-methyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-phenyl-4,5-bis(trideuteriomethyl)pyridine);2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole is CC(C)c1ccccc1-n1c(-c2[c-]cccc2)nc2ccccc21.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc2c(n1)oc1c(-c3ccccn3)[c-]ccc12.Cc1ccnc(-c2[c-]ccc3c2oc2nc(C)ccc23)c1.Cc1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])C([2H])(C)c1ccnc(-c2[c-]ccc3c2oc2nc(C)ccc23)c1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C([2H])([2H])[2H].[CH3-].[Ir+3].[Ir].[Ir].[Ir].

What is the InChIKey of carbanide;4,5-dimethyl-2-phenylpyridine;tris(iridium);iridium(3+);2-methyl-8-(4-methyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-phenyl-4,5-bis(trideuteriomethyl)pyridine);2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole?

The InChIKey is CKMBINDTFADEOV-SOFPMKPXSA-N. The full InChI is InChI=1S/C22H19N2.C20H17N2O.C18H13N2O.C17H11N2O.3C13H12N.C12H10N.CH3.4Ir/c1-16(2)18-12-6-8-14-20(18)24-21-15-9-7-13-19(21)23-22(24)17-10-4-3-5-11-17;1-12(2)14-9-10-21-18(11-14)17-6-4-5-15-16-8-7-13(3)22-20(16)23-19(15)17;1-11-8-9-19-16(10-11)15-5-3-4-13-14-7-6-12(2)20-18(14)21-17(13)15;1-11-8-9-13-12-5-4-6-14(15-7-2-3-10-18-15)16(12)20-17(13)19-11;3*1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;;/h3-10,12-16H,1-2H3;4-5,7-12H,1-3H3;3-4,6-10H,1-2H3;2-5,7-10H,1H3;3*3-6,8-9H,1-2H3;2-5,7-9H,1H3;1H3;;;;/q9*-1;;;;+3/i;1D3,12D;;;2*1D3,2D3;;;;;;;.

What are the key properties of carbanide;4,5-dimethyl-2-phenylpyridine;tris(iridium);iridium(3+);2-methyl-8-(4-methyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-phenyl-4,5-bis(trideuteriomethyl)pyridine);2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole?

carbanide;4,5-dimethyl-2-phenylpyridine;tris(iridium);iridium(3+);2-methyl-8-(4-methyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-phenyl-4,5-bis(trideuteriomethyl)pyridine);2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole has a molecular weight of 2660.34 g/mol, XLogP of 32.30, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;4,5-dimethyl-2-phenylpyridine;tris(iridium);iridium(3+);2-methyl-8-(4-methyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-2-phenylpyridine;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-phenyl-4,5-bis(trideuteriomethyl)pyridine);2-phenyl-1-(2-propan-2-ylphenyl)benzimidazole is sourced from PubChem (CID 157049502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).