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

C126H104Ir4N12O4-8 — CID 159770764

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

tetrakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;tris(2-methyl-8-pyridin-2-yl-4,5-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-4,5-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine (PubChem CID 159770764) has the molecular formula C126H104Ir4N12O4-8 and a molecular weight of 2653.37 g/mol. Its IUPAC name is tetrakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;tris(2-methyl-8-pyridin-2-yl-4,5-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-4,5-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine.

Molecular Properties

• Compound Name: tetrakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;tris(2-methyl-8-pyridin-2-yl-4,5-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-4,5-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine
• PubChem CID: 159770764
• Molecular Formula: C126H104Ir4N12O4-8
• Molecular Weight: 2653.37 g/mol
• Exact Mass: 2654.90
• IUPAC Name: tetrakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;tris(2-methyl-8-pyridin-2-yl-4,5-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-4,5-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine
• SMILES: [2H]C([2H])([2H])c1cc(C)nc2oc3c(-c4cc(C([2H])(C)C([2H])([2H])[2H])ccn4)[c-]cc(C([2H])([2H])[2H])c3c12.[2H]C([2H])([2H])c1cc(C)nc2oc3c(-c4ccccn4)[c-]cc(C([2H])([2H])[2H])c3c12.[2H]C([2H])([2H])c1cc(C)nc2oc3c(-c4ccccn4)[c-]cc(C([2H])([2H])[2H])c3c12.[2H]C([2H])([2H])c1cc(C)nc2oc3c(-c4ccccn4)[c-]cc(C([2H])([2H])[2H])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/C22H21N2O.3C19H15N2O.C13H12N.C12H10N.2C11H8N.4Ir/c1-12(2)16-8-9-23-18(11-16)17-7-6-13(3)19-20-14(4)10-15(5)24-22(20)25-21(17)19;3*1-11-7-8-14(15-6-4-5-9-20-15)18-16(11)17-12(2)10-13(3)21-19(17)22-18;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;;;;/h6,8-12H,1-5H3;3*4-7,9-10H,1-3H3;3-6,8-9H,1-2H3;2-5,7-9H,1H3;2*1-6,8-9H;;;;/q8*-1;;;;/i1D3,3D3,4D3,12D;3*1D3,2D3;2D3;1D3
• InChIKey: DYQXLIBHTGECLI-MFIFXKLXSA-N
• XLogP: 31.31
• TPSA: 207.24 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2653.37
LogP ≤ 5	31.31
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-2-phenyl-5-(trideuteriomethyl)pyridine;tris(2-methyl-8-pyridin-2-yl-4,5-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-4,5-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine?

The IUPAC name of tetrakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;tris(2-methyl-8-pyridin-2-yl-4,5-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-4,5-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine (CID 159770764) is tetrakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;tris(2-methyl-8-pyridin-2-yl-4,5-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-4,5-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine.

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

The canonical SMILES for tetrakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;tris(2-methyl-8-pyridin-2-yl-4,5-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-4,5-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine is [2H]C([2H])([2H])c1cc(C)nc2oc3c(-c4cc(C([2H])(C)C([2H])([2H])[2H])ccn4)[c-]cc(C([2H])([2H])[2H])c3c12.[2H]C([2H])([2H])c1cc(C)nc2oc3c(-c4ccccn4)[c-]cc(C([2H])([2H])[2H])c3c12.[2H]C([2H])([2H])c1cc(C)nc2oc3c(-c4ccccn4)[c-]cc(C([2H])([2H])[2H])c3c12.[2H]C([2H])([2H])c1cc(C)nc2oc3c(-c4ccccn4)[c-]cc(C([2H])([2H])[2H])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 tetrakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;tris(2-methyl-8-pyridin-2-yl-4,5-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-4,5-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine?

The InChIKey is DYQXLIBHTGECLI-MFIFXKLXSA-N. The full InChI is InChI=1S/C22H21N2O.3C19H15N2O.C13H12N.C12H10N.2C11H8N.4Ir/c1-12(2)16-8-9-23-18(11-16)17-7-6-13(3)19-20-14(4)10-15(5)24-22(20)25-21(17)19;3*1-11-7-8-14(15-6-4-5-9-20-15)18-16(11)17-12(2)10-13(3)21-19(17)22-18;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;;;;/h6,8-12H,1-5H3;3*4-7,9-10H,1-3H3;3-6,8-9H,1-2H3;2-5,7-9H,1H3;2*1-6,8-9H;;;;/q8*-1;;;;/i1D3,3D3,4D3,12D;3*1D3,2D3;2D3;1D3;;;;;;.

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

tetrakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;tris(2-methyl-8-pyridin-2-yl-4,5-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-4,5-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine has a molecular weight of 2653.37 g/mol, XLogP of 31.31, 20 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;tris(2-methyl-8-pyridin-2-yl-4,5-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);2-methyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-4,5-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(2-phenylpyridine);2-phenyl-5-(trideuteriomethyl)pyridine is sourced from PubChem (CID 159770764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).