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

C138H136Ir4N12O4-8 — CID 159611989

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

2-tert-butyl-8-pyridin-2-yl-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-tert-butyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);methane;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;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine) (PubChem CID 159611989) has the molecular formula C138H136Ir4N12O4-8 and a molecular weight of 2833.79 g/mol. Its IUPAC name is 2-tert-butyl-8-pyridin-2-yl-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-tert-butyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);methane;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;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine).

Molecular Properties

• Compound Name: 2-tert-butyl-8-pyridin-2-yl-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-tert-butyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);methane;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;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)
• PubChem CID: 159611989
• Molecular Formula: C138H136Ir4N12O4-8
• Molecular Weight: 2833.79 g/mol
• Exact Mass: 2835.18
• IUPAC Name: 2-tert-butyl-8-pyridin-2-yl-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-tert-butyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);methane;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;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)
• SMILES: C.C.C.C.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C([2H])([2H])[2H])ccn2)c2oc3nc(C(C)(C)C)ccc3c12.[2H]C([2H])([2H])c1c[c-]c(-c2ccccn2)c2oc3nc(C(C)(C)C)ccc3c12.[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])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C24H25N2O.C22H21N2O.C21H19N2O.C19H15N2O.4C12H10N.4CH4.4Ir/c1-14(2)16-11-12-25-19(13-16)17-8-7-15(3)21-18-9-10-20(24(4,5)6)26-23(18)27-22(17)21;1-12(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;1-13-8-9-14(16-7-5-6-12-22-16)19-18(13)15-10-11-17(21(2,3)4)23-20(15)24-19;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;4*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;;;;;/h7,9-14H,1-6H3;6,8-12H,1-5H3;5-8,10-12H,1-4H3;4-7,9-10H,1-3H3;4*2-5,7-9H,1H3;4*1H4;;;;/q8*-1;;;;;;;;/i1D3,3D3,14D;1D3,3D3,4D3,12D;1D3;1D3,2D3;4*1D3
• InChIKey: PDLZOKPYNQWXBI-MGGXVNMJSA-N
• XLogP: 36.65
• TPSA: 207.24 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2833.79
LogP ≤ 5	36.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of 2-tert-butyl-8-pyridin-2-yl-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-tert-butyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);methane;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;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine) (CID 159611989) is 2-tert-butyl-8-pyridin-2-yl-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-tert-butyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);methane;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;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine).

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

The canonical SMILES for 2-tert-butyl-8-pyridin-2-yl-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-tert-butyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);methane;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;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine) is C.C.C.C.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C([2H])([2H])[2H])ccn2)c2oc3nc(C(C)(C)C)ccc3c12.[2H]C([2H])([2H])c1c[c-]c(-c2ccccn2)c2oc3nc(C(C)(C)C)ccc3c12.[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])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].

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

The InChIKey is PDLZOKPYNQWXBI-MGGXVNMJSA-N. The full InChI is InChI=1S/C24H25N2O.C22H21N2O.C21H19N2O.C19H15N2O.4C12H10N.4CH4.4Ir/c1-14(2)16-11-12-25-19(13-16)17-8-7-15(3)21-18-9-10-20(24(4,5)6)26-23(18)27-22(17)21;1-12(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;1-13-8-9-14(16-7-5-6-12-22-16)19-18(13)15-10-11-17(21(2,3)4)23-20(15)24-19;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;4*1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;;;;;;;;/h7,9-14H,1-6H3;6,8-12H,1-5H3;5-8,10-12H,1-4H3;4-7,9-10H,1-3H3;4*2-5,7-9H,1H3;4*1H4;;;;/q8*-1;;;;;;;;/i1D3,3D3,14D;1D3,3D3,4D3,12D;1D3;1D3,2D3;4*1D3;;;;;;;;.

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

2-tert-butyl-8-pyridin-2-yl-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-tert-butyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);methane;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;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine) has a molecular weight of 2833.79 g/mol, XLogP of 36.65, 22 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-8-pyridin-2-yl-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-tert-butyl-8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-5-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);methane;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;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine) is sourced from PubChem (CID 159611989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).