tetrakis(iridium);4-methyl-6-phenyl-2,3-bis(trideuteriomethyl)pyridine;4-methyl-2-phenyl-5-propan-2-ylpyridine;bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-propan-2-yl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide

C137H126Ir4N12O4-8 — CID 158940725

About tetrakis(iridium);4-methyl-6-phenyl-2,3-bis(trideuteriomethyl)pyridine;4-methyl-2-phenyl-5-propan-2-ylpyridine;bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-propan-2-yl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide

tetrakis(iridium);4-methyl-6-phenyl-2,3-bis(trideuteriomethyl)pyridine;4-methyl-2-phenyl-5-propan-2-ylpyridine;bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-propan-2-yl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide (PubChem CID 158940725) has the molecular formula C137H126Ir4N12O4-8 and a molecular weight of 2809.68 g/mol. Its IUPAC name is tetrakis(iridium);4-methyl-6-phenyl-2,3-bis(trideuteriomethyl)pyridine;4-methyl-2-phenyl-5-propan-2-ylpyridine;bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-propan-2-yl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

Molecular Properties

• Compound Name: tetrakis(iridium);4-methyl-6-phenyl-2,3-bis(trideuteriomethyl)pyridine;4-methyl-2-phenyl-5-propan-2-ylpyridine;bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-propan-2-yl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
• PubChem CID: 158940725
• Molecular Formula: C137H126Ir4N12O4-8
• Molecular Weight: 2809.68 g/mol
• Exact Mass: 2811.08
• IUPAC Name: tetrakis(iridium);4-methyl-6-phenyl-2,3-bis(trideuteriomethyl)pyridine;4-methyl-2-phenyl-5-propan-2-ylpyridine;bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-propan-2-yl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
• SMILES: Cc1cc(-c2[c-]cccc2)ncc1C(C)C.[2H]C([2H])([2H])C([2H])(C)c1ccnc(-c2[c-]ccc3c2oc2nc(C)ccc23)c1.[2H]C([2H])([2H])c1cc(-c2[c-]ccc3c2oc2nc(C)ccc23)ncc1C([2H])(C)C([2H])([2H])[2H].[2H]C([2H])([2H])c1cc(-c2[c-]ccc3c2oc2ncccc23)ncc1C(C)C.[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(C([2H])([2H])[2H])c(C([2H])(C)C([2H])([2H])[2H])cn3)[c-]ccc12.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1nc(-c2[c-]cccc2)cc(C)c1C([2H])([2H])[2H].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C21H19N2O.2C20H17N2O.C15H16N.C14H14N.2C13H12N.4Ir/c2*1-12(2)18-11-22-19(10-13(18)3)17-7-5-6-15-16-9-8-14(4)23-21(16)24-20(15)17;1-12(2)17-11-22-18(10-13(17)3)16-7-4-6-14-15-8-5-9-21-20(15)23-19(14)16;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(2)14-10-16-15(9-12(14)3)13-7-5-4-6-8-13;1-10-9-14(15-12(3)11(10)2)13-7-5-4-6-8-13;2*1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;;;;/h2*5-6,8-12H,1-4H3;4-6,8-12H,1-3H3;4-5,7-12H,1-3H3;4-7,9-11H,1-3H3;4-7,9H,1-3H3;2*3-6,8-9H,1-2H3;;;;/q8*-1;;;;/i1D3,3D3,4D3,12D;1D3,3D3,12D;3D3;1D3,12D;;2D3,3D3;2*2D3
• InChIKey: HCJAVVCKNXCVCY-ZIFXBSFWSA-N
• XLogP: 35.49
• TPSA: 207.24 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 24
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2809.68
LogP ≤ 5	35.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis(iridium);4-methyl-6-phenyl-2,3-bis(trideuteriomethyl)pyridine;4-methyl-2-phenyl-5-propan-2-ylpyridine;bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-propan-2-yl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The IUPAC name of tetrakis(iridium);4-methyl-6-phenyl-2,3-bis(trideuteriomethyl)pyridine;4-methyl-2-phenyl-5-propan-2-ylpyridine;bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-propan-2-yl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide (CID 158940725) is tetrakis(iridium);4-methyl-6-phenyl-2,3-bis(trideuteriomethyl)pyridine;4-methyl-2-phenyl-5-propan-2-ylpyridine;bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-propan-2-yl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

What is the SMILES notation for tetrakis(iridium);4-methyl-6-phenyl-2,3-bis(trideuteriomethyl)pyridine;4-methyl-2-phenyl-5-propan-2-ylpyridine;bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-propan-2-yl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The canonical SMILES for tetrakis(iridium);4-methyl-6-phenyl-2,3-bis(trideuteriomethyl)pyridine;4-methyl-2-phenyl-5-propan-2-ylpyridine;bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-propan-2-yl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide is Cc1cc(-c2[c-]cccc2)ncc1C(C)C.[2H]C([2H])([2H])C([2H])(C)c1ccnc(-c2[c-]ccc3c2oc2nc(C)ccc23)c1.[2H]C([2H])([2H])c1cc(-c2[c-]ccc3c2oc2nc(C)ccc23)ncc1C([2H])(C)C([2H])([2H])[2H].[2H]C([2H])([2H])c1cc(-c2[c-]ccc3c2oc2ncccc23)ncc1C(C)C.[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(C([2H])([2H])[2H])c(C([2H])(C)C([2H])([2H])[2H])cn3)[c-]ccc12.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1nc(-c2[c-]cccc2)cc(C)c1C([2H])([2H])[2H].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of tetrakis(iridium);4-methyl-6-phenyl-2,3-bis(trideuteriomethyl)pyridine;4-methyl-2-phenyl-5-propan-2-ylpyridine;bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-propan-2-yl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The InChIKey is HCJAVVCKNXCVCY-ZIFXBSFWSA-N. The full InChI is InChI=1S/2C21H19N2O.2C20H17N2O.C15H16N.C14H14N.2C13H12N.4Ir/c2*1-12(2)18-11-22-19(10-13(18)3)17-7-5-6-15-16-9-8-14(4)23-21(16)24-20(15)17;1-12(2)17-11-22-18(10-13(17)3)16-7-4-6-14-15-8-5-9-21-20(15)23-19(14)16;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(2)14-10-16-15(9-12(14)3)13-7-5-4-6-8-13;1-10-9-14(15-12(3)11(10)2)13-7-5-4-6-8-13;2*1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;;;;/h2*5-6,8-12H,1-4H3;4-6,8-12H,1-3H3;4-5,7-12H,1-3H3;4-7,9-11H,1-3H3;4-7,9H,1-3H3;2*3-6,8-9H,1-2H3;;;;/q8*-1;;;;/i1D3,3D3,4D3,12D;1D3,3D3,12D;3D3;1D3,12D;;2D3,3D3;2*2D3;;;;.

What are the key properties of tetrakis(iridium);4-methyl-6-phenyl-2,3-bis(trideuteriomethyl)pyridine;4-methyl-2-phenyl-5-propan-2-ylpyridine;bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-propan-2-yl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

tetrakis(iridium);4-methyl-6-phenyl-2,3-bis(trideuteriomethyl)pyridine;4-methyl-2-phenyl-5-propan-2-ylpyridine;bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-propan-2-yl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide has a molecular weight of 2809.68 g/mol, XLogP of 35.49, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(iridium);4-methyl-6-phenyl-2,3-bis(trideuteriomethyl)pyridine;4-methyl-2-phenyl-5-propan-2-ylpyridine;bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-propan-2-yl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide is sourced from PubChem (CID 158940725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).