tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);5-(2-deuteriopropan-2-yl)-2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-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

C130H112Ir4N12O4-8 — CID 161045958

About tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);5-(2-deuteriopropan-2-yl)-2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-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

tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);5-(2-deuteriopropan-2-yl)-2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-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 161045958) has the molecular formula C130H112Ir4N12O4-8 and a molecular weight of 2689.36 g/mol. Its IUPAC name is tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);5-(2-deuteriopropan-2-yl)-2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-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: tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);5-(2-deuteriopropan-2-yl)-2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-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: 161045958
• Molecular Formula: C130H112Ir4N12O4-8
• Molecular Weight: 2689.36 g/mol
• Exact Mass: 2690.84
• IUPAC Name: tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);5-(2-deuteriopropan-2-yl)-2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-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)c1c[c-]c(-c2cc(C([2H])(C)C([2H])([2H])[2H])ccn2)c2oc3nc(C)ccc3c12.[2H]C(C)(C)c1c[c-]c(-c2ccccn2)c2oc3nc(C)ccc3c12.[2H]C(C)(C)c1c[c-]c(-c2ccccn2)c2oc3nc(C)ccc3c12.[2H]C(C)(C)c1c[c-]c(-c2ccccn2)c2oc3nc(C)ccc3c12.[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/C23H23N2O.3C20H17N2O.C13H12N.C12H10N.2C11H8N.4Ir/c1-13(2)16-10-11-24-20(12-16)18-9-8-17(14(3)4)21-19-7-6-15(5)25-23(19)26-22(18)21;3*1-12(2)14-9-10-15(17-6-4-5-11-21-17)19-18(14)16-8-7-13(3)22-20(16)23-19;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;;;;/h6-8,10-14H,1-5H3;3*4-9,11-12H,1-3H3;3-6,8-9H,1-2H3;2-5,7-9H,1H3;2*1-6,8-9H;;;;/q8*-1;;;;/i1D3,13D,14D;3*12D;2D3;1D3
• InChIKey: UASFTJQKZXHIFR-MUZDJFTHSA-N
• XLogP: 33.33
• TPSA: 207.24 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2689.36
LogP ≤ 5	33.33
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 tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);5-(2-deuteriopropan-2-yl)-2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-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 tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);5-(2-deuteriopropan-2-yl)-2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-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 161045958) is tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);5-(2-deuteriopropan-2-yl)-2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-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 tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);5-(2-deuteriopropan-2-yl)-2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-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 tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);5-(2-deuteriopropan-2-yl)-2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-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)c1c[c-]c(-c2cc(C([2H])(C)C([2H])([2H])[2H])ccn2)c2oc3nc(C)ccc3c12.[2H]C(C)(C)c1c[c-]c(-c2ccccn2)c2oc3nc(C)ccc3c12.[2H]C(C)(C)c1c[c-]c(-c2ccccn2)c2oc3nc(C)ccc3c12.[2H]C(C)(C)c1c[c-]c(-c2ccccn2)c2oc3nc(C)ccc3c12.[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 tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);5-(2-deuteriopropan-2-yl)-2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-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 UASFTJQKZXHIFR-MUZDJFTHSA-N. The full InChI is InChI=1S/C23H23N2O.3C20H17N2O.C13H12N.C12H10N.2C11H8N.4Ir/c1-13(2)16-10-11-24-20(12-16)18-9-8-17(14(3)4)21-19-7-6-15(5)25-23(19)26-22(18)21;3*1-12(2)14-9-10-15(17-6-4-5-11-21-17)19-18(14)16-8-7-13(3)22-20(16)23-19;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;;;;/h6-8,10-14H,1-5H3;3*4-9,11-12H,1-3H3;3-6,8-9H,1-2H3;2-5,7-9H,1H3;2*1-6,8-9H;;;;/q8*-1;;;;/i1D3,13D,14D;3*12D;2D3;1D3;;;;;;.

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

tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);5-(2-deuteriopropan-2-yl)-2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-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 2689.36 g/mol, XLogP of 33.33, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tris(5-(2-deuteriopropan-2-yl)-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);5-(2-deuteriopropan-2-yl)-2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-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 161045958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).