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

C149H150Ir4N12O4-8 — CID 157295229

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

2-tert-butyl-8-[5-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-tert-butyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine (PubChem CID 157295229) has the molecular formula C149H150Ir4N12O4-8 and a molecular weight of 2988.07 g/mol. Its IUPAC name is 2-tert-butyl-8-[5-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-tert-butyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine.

Molecular Properties

• Compound Name: 2-tert-butyl-8-[5-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-tert-butyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine
• PubChem CID: 157295229
• Molecular Formula: C149H150Ir4N12O4-8
• Molecular Weight: 2988.07 g/mol
• Exact Mass: 2989.34
• IUPAC Name: 2-tert-butyl-8-[5-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-tert-butyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine
• SMILES: [2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C([2H])([2H])[2H])c(C)cn2)c2oc3nc(C(C)(C)C)ccc3c12.[2H]C([2H])([2H])c1cc(-c2[c-]cc(C([2H])([2H])[2H])c3c2oc2nc(C(C)(C)C)ccc23)ncc1C([2H])(C)C([2H])([2H])[2H].[2H]C([2H])([2H])c1cc(-c2[c-]cc(C([2H])([2H])[2H])c3c2oc2nc(C(C)(C)C)ccc23)ncc1C([2H])(C)C([2H])([2H])[2H].[2H]C([2H])([2H])c1cc(-c2[c-]cc(C([2H])([2H])[2H])c3c2oc2nc(C(C)(C)C)ccc23)ncc1C([2H])(C)C([2H])([2H])[2H].[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/4C25H27N2O.2C13H12N.C12H10N.C11H8N.4Ir/c1-14(2)19-12-20(26-13-16(19)4)17-9-8-15(3)22-18-10-11-21(25(5,6)7)27-24(18)28-23(17)22;3*1-14(2)19-13-26-20(12-16(19)4)17-9-8-15(3)22-18-10-11-21(25(5,6)7)27-24(18)28-23(17)22;2*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;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h4*8,10-14H,1-7H3;2*3-6,8-9H,1-2H3;2-5,7-9H,1H3;1-6,8-9H;;;;/q8*-1;;;;/i1D3,3D3,14D;3*1D3,3D3,4D3,14D;2*2D3;1D3
• InChIKey: JIQBHIKHZIWLPO-SSSXHDQYSA-N
• XLogP: 39.25
• TPSA: 207.24 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 26
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2988.07
LogP ≤ 5	39.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of 2-tert-butyl-8-[5-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-tert-butyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine (CID 157295229) is 2-tert-butyl-8-[5-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-tert-butyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine.

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

The canonical SMILES for 2-tert-butyl-8-[5-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-tert-butyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine is [2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C([2H])([2H])[2H])c(C)cn2)c2oc3nc(C(C)(C)C)ccc3c12.[2H]C([2H])([2H])c1cc(-c2[c-]cc(C([2H])([2H])[2H])c3c2oc2nc(C(C)(C)C)ccc23)ncc1C([2H])(C)C([2H])([2H])[2H].[2H]C([2H])([2H])c1cc(-c2[c-]cc(C([2H])([2H])[2H])c3c2oc2nc(C(C)(C)C)ccc23)ncc1C([2H])(C)C([2H])([2H])[2H].[2H]C([2H])([2H])c1cc(-c2[c-]cc(C([2H])([2H])[2H])c3c2oc2nc(C(C)(C)C)ccc23)ncc1C([2H])(C)C([2H])([2H])[2H].[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1C.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.

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

The InChIKey is JIQBHIKHZIWLPO-SSSXHDQYSA-N. The full InChI is InChI=1S/4C25H27N2O.2C13H12N.C12H10N.C11H8N.4Ir/c1-14(2)19-12-20(26-13-16(19)4)17-9-8-15(3)22-18-10-11-21(25(5,6)7)27-24(18)28-23(17)22;3*1-14(2)19-13-26-20(12-16(19)4)17-9-8-15(3)22-18-10-11-21(25(5,6)7)27-24(18)28-23(17)22;2*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;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h4*8,10-14H,1-7H3;2*3-6,8-9H,1-2H3;2-5,7-9H,1H3;1-6,8-9H;;;;/q8*-1;;;;/i1D3,3D3,14D;3*1D3,3D3,4D3,14D;2*2D3;1D3;;;;;.

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

2-tert-butyl-8-[5-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-tert-butyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine has a molecular weight of 2988.07 g/mol, XLogP of 39.25, 26 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-8-[5-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(2-tert-butyl-8-[5-(1,1,1,2-tetradeuteriopropan-2-yl)-4-(trideuteriomethyl)-2-pyridinyl]-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);2-phenylpyridine;2-phenyl-5-(trideuteriomethyl)pyridine is sourced from PubChem (CID 157295229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).