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

C145H142Ir4N12O4-8 — CID 157323904

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

4,5-bis(2-deuteriopropan-2-yl)-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-[5-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-4-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine (PubChem CID 157323904) has the molecular formula C145H142Ir4N12O4-8 and a molecular weight of 2917.87 g/mol. Its IUPAC name is 4,5-bis(2-deuteriopropan-2-yl)-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-[5-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-4-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine.

Molecular Properties

• Compound Name: 4,5-bis(2-deuteriopropan-2-yl)-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-[5-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-4-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine
• PubChem CID: 157323904
• Molecular Formula: C145H142Ir4N12O4-8
• Molecular Weight: 2917.87 g/mol
• Exact Mass: 2919.18
• IUPAC Name: 4,5-bis(2-deuteriopropan-2-yl)-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-[5-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-4-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine
• SMILES: [2H]C(C)(C)c1cc(C)nc2oc3c(-c4ccccn4)[c-]cc(C([2H])(C)C)c3c12.[2H]C([2H])([2H])c1cc(C)nc2oc3c(-c4cc(C([2H])(C)C([2H])([2H])[2H])c(C)cn4)[c-]cc(C([2H])(C)C)c3c12.[2H]C([2H])([2H])c1cc(C)nc2oc3c(-c4cc(C([2H])(C)C([2H])([2H])[2H])c(C)cn4)[c-]cc(C([2H])(C)C)c3c12.[2H]C([2H])([2H])c1cc(C)nc2oc3c(-c4cc(C([2H])(C)C([2H])([2H])[2H])c(C)cn4)[c-]cc(C([2H])(C)C)c3c12.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/3C25H27N2O.C23H23N2O.C13H12N.C12H10N.2C11H8N.4Ir/c3*1-13(2)18-8-9-19(21-11-20(14(3)4)16(6)12-26-21)24-23(18)22-15(5)10-17(7)27-25(22)28-24;1-13(2)16-9-10-17(19-8-6-7-11-24-19)22-20(16)21-18(14(3)4)12-15(5)25-23(21)26-22;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;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h3*8,10-14H,1-7H3;6-9,11-14H,1-5H3;3-6,8-9H,1-2H3;2-5,7-9H,1H3;2*1-6,8-9H;;;;/q8*-1;;;;/i3*3D3,5D3,13D,14D;13D,14D;2D3;1D3
• InChIKey: NXRBNOAKORJJET-CDWGXYMKSA-N
• XLogP: 38.55
• TPSA: 207.24 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 24
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2917.87
LogP ≤ 5	38.55
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 4,5-bis(2-deuteriopropan-2-yl)-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-[5-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-4-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine?

The IUPAC name of 4,5-bis(2-deuteriopropan-2-yl)-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-[5-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-4-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine (CID 157323904) is 4,5-bis(2-deuteriopropan-2-yl)-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-[5-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-4-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine.

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

The canonical SMILES for 4,5-bis(2-deuteriopropan-2-yl)-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-[5-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-4-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine is [2H]C(C)(C)c1cc(C)nc2oc3c(-c4ccccn4)[c-]cc(C([2H])(C)C)c3c12.[2H]C([2H])([2H])c1cc(C)nc2oc3c(-c4cc(C([2H])(C)C([2H])([2H])[2H])c(C)cn4)[c-]cc(C([2H])(C)C)c3c12.[2H]C([2H])([2H])c1cc(C)nc2oc3c(-c4cc(C([2H])(C)C([2H])([2H])[2H])c(C)cn4)[c-]cc(C([2H])(C)C)c3c12.[2H]C([2H])([2H])c1cc(C)nc2oc3c(-c4cc(C([2H])(C)C([2H])([2H])[2H])c(C)cn4)[c-]cc(C([2H])(C)C)c3c12.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

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

The InChIKey is NXRBNOAKORJJET-CDWGXYMKSA-N. The full InChI is InChI=1S/3C25H27N2O.C23H23N2O.C13H12N.C12H10N.2C11H8N.4Ir/c3*1-13(2)18-8-9-19(21-11-20(14(3)4)16(6)12-26-21)24-23(18)22-15(5)10-17(7)27-25(22)28-24;1-13(2)16-9-10-17(19-8-6-7-11-24-19)22-20(16)21-18(14(3)4)12-15(5)25-23(21)26-22;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;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h3*8,10-14H,1-7H3;6-9,11-14H,1-5H3;3-6,8-9H,1-2H3;2-5,7-9H,1H3;2*1-6,8-9H;;;;/q8*-1;;;;/i3*3D3,5D3,13D,14D;13D,14D;2D3;1D3;;;;;;.

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

4,5-bis(2-deuteriopropan-2-yl)-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-[5-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-4-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine has a molecular weight of 2917.87 g/mol, XLogP of 38.55, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-bis(2-deuteriopropan-2-yl)-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-[5-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-4-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine is sourced from PubChem (CID 157323904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).