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

C150H152Ir4N12O4-8 — CID 161266784

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

bis(4-(3-deuteriopentan-3-yl)-2-phenylpyridine);bis(4-(3-deuteriopentan-3-yl)-2-phenyl-5-(trideuteriomethyl)pyridine);bis(8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide) (PubChem CID 161266784) has the molecular formula C150H152Ir4N12O4-8 and a molecular weight of 3000.08 g/mol. Its IUPAC name is bis(4-(3-deuteriopentan-3-yl)-2-phenylpyridine);bis(4-(3-deuteriopentan-3-yl)-2-phenyl-5-(trideuteriomethyl)pyridine);bis(8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide).

Molecular Properties

• Compound Name: bis(4-(3-deuteriopentan-3-yl)-2-phenylpyridine);bis(4-(3-deuteriopentan-3-yl)-2-phenyl-5-(trideuteriomethyl)pyridine);bis(8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide)
• PubChem CID: 161266784
• Molecular Formula: C150H152Ir4N12O4-8
• Molecular Weight: 3000.08 g/mol
• Exact Mass: 3001.34
• IUPAC Name: bis(4-(3-deuteriopentan-3-yl)-2-phenylpyridine);bis(4-(3-deuteriopentan-3-yl)-2-phenyl-5-(trideuteriomethyl)pyridine);bis(8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide)
• SMILES: [2H]C(CC)(CC)c1ccnc(-c2[c-]cccc2)c1.[2H]C(CC)(CC)c1ccnc(-c2[c-]cccc2)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-]ccc3c2oc2nc(C)ccc23)ncc1C([2H])(C)C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2nc(C)ccc23)cc1C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2nc(C)ccc23)cc1C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C([2H])(CC)CC.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C([2H])(CC)CC.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/4C21H19N2O.2C17H20N.2C16H18N.4Ir/c2*1-12(2)18-10-19(22-11-13(18)3)17-7-5-6-15-16-9-8-14(4)23-21(16)24-20(15)17;2*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;2*1-4-14(5-2)16-11-17(18-12-13(16)3)15-9-7-6-8-10-15;2*1-3-13(4-2)15-10-11-17-16(12-15)14-8-6-5-7-9-14;;;;/h4*5-6,8-12H,1-4H3;2*6-9,11-12,14H,4-5H2,1-3H3;2*5-8,10-13H,3-4H2,1-2H3;;;;/q8*-1;;;;/i2*1D3,2D3,3D3,12D;2*1D3,3D3,12D;2*3D3,14D;2*13D
• InChIKey: KMVDIFTZEQUXDG-MYCLBEOLSA-N
• XLogP: 40.75
• TPSA: 207.24 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 36
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3000.08
LogP ≤ 5	40.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of bis(4-(3-deuteriopentan-3-yl)-2-phenylpyridine);bis(4-(3-deuteriopentan-3-yl)-2-phenyl-5-(trideuteriomethyl)pyridine);bis(8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide) (CID 161266784) is bis(4-(3-deuteriopentan-3-yl)-2-phenylpyridine);bis(4-(3-deuteriopentan-3-yl)-2-phenyl-5-(trideuteriomethyl)pyridine);bis(8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide).

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

The canonical SMILES for bis(4-(3-deuteriopentan-3-yl)-2-phenylpyridine);bis(4-(3-deuteriopentan-3-yl)-2-phenyl-5-(trideuteriomethyl)pyridine);bis(8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide) is [2H]C(CC)(CC)c1ccnc(-c2[c-]cccc2)c1.[2H]C(CC)(CC)c1ccnc(-c2[c-]cccc2)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-]ccc3c2oc2nc(C)ccc23)ncc1C([2H])(C)C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2nc(C)ccc23)cc1C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2nc(C)ccc23)cc1C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H].[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C([2H])(CC)CC.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C([2H])(CC)CC.[Ir].[Ir].[Ir].[Ir].

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

The InChIKey is KMVDIFTZEQUXDG-MYCLBEOLSA-N. The full InChI is InChI=1S/4C21H19N2O.2C17H20N.2C16H18N.4Ir/c2*1-12(2)18-10-19(22-11-13(18)3)17-7-5-6-15-16-9-8-14(4)23-21(16)24-20(15)17;2*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;2*1-4-14(5-2)16-11-17(18-12-13(16)3)15-9-7-6-8-10-15;2*1-3-13(4-2)15-10-11-17-16(12-15)14-8-6-5-7-9-14;;;;/h4*5-6,8-12H,1-4H3;2*6-9,11-12,14H,4-5H2,1-3H3;2*5-8,10-13H,3-4H2,1-2H3;;;;/q8*-1;;;;/i2*1D3,2D3,3D3,12D;2*1D3,3D3,12D;2*3D3,14D;2*13D;;;;.

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

bis(4-(3-deuteriopentan-3-yl)-2-phenylpyridine);bis(4-(3-deuteriopentan-3-yl)-2-phenyl-5-(trideuteriomethyl)pyridine);bis(8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide) has a molecular weight of 3000.08 g/mol, XLogP of 40.75, 36 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-(3-deuteriopentan-3-yl)-2-phenylpyridine);bis(4-(3-deuteriopentan-3-yl)-2-phenyl-5-(trideuteriomethyl)pyridine);bis(8-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-5-(trideuteriomethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(2-methyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide) is sourced from PubChem (CID 161266784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).