8-[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane);2-[cyclopentyl(dideuterio)methyl]-8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium)

C185H212Ir4N12O4Si4-8 — CID 163991954

About 8-[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane);2-[cyclopentyl(dideuterio)methyl]-8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium)

8-[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane);2-[cyclopentyl(dideuterio)methyl]-8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium) (PubChem CID 163991954) has the molecular formula C185H212Ir4N12O4Si4-8 and a molecular weight of 3576.19 g/mol. Its IUPAC name is 8-[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane);2-[cyclopentyl(dideuterio)methyl]-8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium).

Molecular Properties

• Compound Name: 8-[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane);2-[cyclopentyl(dideuterio)methyl]-8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium)
• PubChem CID: 163991954
• Molecular Formula: C185H212Ir4N12O4Si4-8
• Molecular Weight: 3576.19 g/mol
• Exact Mass: 3576.61
• IUPAC Name: 8-[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane);2-[cyclopentyl(dideuterio)methyl]-8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium)
• SMILES: [2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(C([2H])([2H])C(C)C)c(C([2H])([2H])[2H])cn3)[c-]ccc12.[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(C([2H])([2H])C4CC5CCC4CC5)ccn3)[c-]ccc12.[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(C4([2H])CCCCC4)ccn3)[c-]ccc12.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C1CCCCC1.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C1CCCCC1.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C1CCCCC1.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C1CCCCC1.[2H]C([2H])(c1ccc2c(n1)oc1c(-c3cc(C(C)(C)C4CCCC4)ccn3)[c-]ccc12)C1CCCC1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C30H33N2O.C26H25N2O.C23H21N2O.C22H21N2O.4C21H28NSi.4Ir/c1-30(2,21-10-5-6-11-21)22-16-17-31-27(19-22)26-13-7-12-24-25-15-14-23(18-20-8-3-4-9-20)32-29(25)33-28(24)26;1-16-5-10-22-21-3-2-4-23(25(21)29-26(22)28-16)24-15-18(11-12-27-24)14-20-13-17-6-8-19(20)9-7-17;1-15-10-11-19-18-8-5-9-20(22(18)26-23(19)25-15)21-14-17(12-13-24-21)16-6-3-2-4-7-16;1-13(2)10-16-11-20(23-12-14(16)3)19-7-5-6-17-18-9-8-15(4)24-22(18)25-21(17)19;4*1-23(2,3)21-16-22-20(18-12-8-5-9-13-18)15-19(21)14-17-10-6-4-7-11-17;;;;/h7,12,14-17,19-21H,3-6,8-11,18H2,1-2H3;2-3,5,10-12,15,17,19-20H,6-9,13-14H2,1H3;5,8,10-14,16H,2-4,6-7H2,1H3;5-6,8-9,11-13H,10H2,1-4H3;4*5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;;;;/q8*-1;;;;/i18D2;1D3,14D2;1D3,16D;3D3,4D3,10D2;4*14D2
• InChIKey: AAGPDKYYDXHBOE-FBDMQWKLSA-N
• XLogP: 47.28
• TPSA: 207.24 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 33
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3576.19
LogP ≤ 5	47.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 8-[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane);2-[cyclopentyl(dideuterio)methyl]-8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium)?

The IUPAC name of 8-[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane);2-[cyclopentyl(dideuterio)methyl]-8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium) (CID 163991954) is 8-[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane);2-[cyclopentyl(dideuterio)methyl]-8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium).

What is the SMILES notation for 8-[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane);2-[cyclopentyl(dideuterio)methyl]-8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium)?

The canonical SMILES for 8-[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane);2-[cyclopentyl(dideuterio)methyl]-8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium) is [2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(C([2H])([2H])C(C)C)c(C([2H])([2H])[2H])cn3)[c-]ccc12.[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(C([2H])([2H])C4CC5CCC4CC5)ccn3)[c-]ccc12.[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(C4([2H])CCCCC4)ccn3)[c-]ccc12.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C1CCCCC1.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C1CCCCC1.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C1CCCCC1.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C1CCCCC1.[2H]C([2H])(c1ccc2c(n1)oc1c(-c3cc(C(C)(C)C4CCCC4)ccn3)[c-]ccc12)C1CCCC1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 8-[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane);2-[cyclopentyl(dideuterio)methyl]-8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium)?

The InChIKey is AAGPDKYYDXHBOE-FBDMQWKLSA-N. The full InChI is InChI=1S/C30H33N2O.C26H25N2O.C23H21N2O.C22H21N2O.4C21H28NSi.4Ir/c1-30(2,21-10-5-6-11-21)22-16-17-31-27(19-22)26-13-7-12-24-25-15-14-23(18-20-8-3-4-9-20)32-29(25)33-28(24)26;1-16-5-10-22-21-3-2-4-23(25(21)29-26(22)28-16)24-15-18(11-12-27-24)14-20-13-17-6-8-19(20)9-7-17;1-15-10-11-19-18-8-5-9-20(22(18)26-23(19)25-15)21-14-17(12-13-24-21)16-6-3-2-4-7-16;1-13(2)10-16-11-20(23-12-14(16)3)19-7-5-6-17-18-9-8-15(4)24-22(18)25-21(17)19;4*1-23(2,3)21-16-22-20(18-12-8-5-9-13-18)15-19(21)14-17-10-6-4-7-11-17;;;;/h7,12,14-17,19-21H,3-6,8-11,18H2,1-2H3;2-3,5,10-12,15,17,19-20H,6-9,13-14H2,1H3;5,8,10-14,16H,2-4,6-7H2,1H3;5-6,8-9,11-13H,10H2,1-4H3;4*5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;;;;/q8*-1;;;;/i18D2;1D3,14D2;1D3,16D;3D3,4D3,10D2;4*14D2;;;;.

What are the key properties of 8-[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane);2-[cyclopentyl(dideuterio)methyl]-8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium)?

8-[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane);2-[cyclopentyl(dideuterio)methyl]-8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium) has a molecular weight of 3576.19 g/mol, XLogP of 47.28, 33 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[2-bicyclo[2.2.2]octanyl(dideuterio)methyl]-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane);2-[cyclopentyl(dideuterio)methyl]-8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1-deuteriocyclohexyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(1,1-dideuterio-2-methylpropyl)-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium) is sourced from PubChem (CID 163991954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).