2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-2,5-bis(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis(iridium)

C159H178Ir4N12S4Si4-8 — CID 160683071

About 2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-2,5-bis(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis(iridium)

2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-2,5-bis(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis(iridium) (PubChem CID 160683071) has the molecular formula C159H178Ir4N12S4Si4-8 and a molecular weight of 3301.95 g/mol. Its IUPAC name is 2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-2,5-bis(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis(iridium).

Molecular Properties

• Compound Name: 2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-2,5-bis(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis(iridium)
• PubChem CID: 160683071
• Molecular Formula: C159H178Ir4N12S4Si4-8
• Molecular Weight: 3301.95 g/mol
• Exact Mass: 3302.30
• IUPAC Name: 2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-2,5-bis(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis(iridium)
• SMILES: [2H]C(C)(C)c1ccc2c(n1)sc1c(-c3cc(C([2H])([2H])C(C)(C)C)ccn3)[c-]ccc12.[2H]C([2H])([2H])c1ccc2c(n1)sc1c(-c3cc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])ccn3)[c-]cc(C([2H])([2H])[2H])c12.[2H]C([2H])([2H])c1ccc2c(n1)sc1c(-c3cc(C([2H])(C)C)ccn3)[c-]ccc12.[2H]C([2H])([2H])c1ccc2c(n1)sc1c(-c3cc(C([2H])([2H])C(C)C)ccn3)[c-]ccc12.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)C.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C24H25N2S.C22H21N2S.C21H19N2S.C20H17N2S.4C18H24NSi.4Ir/c1-15(2)20-10-9-18-17-7-6-8-19(22(17)27-23(18)26-20)21-13-16(11-12-25-21)14-24(3,4)5;1-13-6-8-16(18-12-15(10-11-23-18)22(3,4)5)20-19(13)17-9-7-14(2)24-21(17)25-20;1-13(2)11-15-9-10-22-19(12-15)18-6-4-5-16-17-8-7-14(3)23-21(17)24-20(16)18;1-12(2)14-9-10-21-18(11-14)17-6-4-5-15-16-8-7-13(3)22-20(16)23-19(15)17;4*1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;;;;/h6-7,9-13,15H,14H2,1-5H3;6-7,9-12H,1-5H3;4-5,7-10,12-13H,11H2,1-3H3;4-5,7-12H,1-3H3;4*6-9,12-14H,11H2,1-5H3;;;;/q8*-1;;;;/i14D2,15D;1D3,2D3,3D3,4D3,5D3;3D3,11D2;3D3,12D;4*11D2
• InChIKey: CLPDVRRVKQZOIE-JMCXTSRPSA-N
• XLogP: 41.97
• TPSA: 154.68 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 29
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3301.95
LogP ≤ 5	41.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-2,5-bis(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis(iridium)?

The IUPAC name of 2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-2,5-bis(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis(iridium) (CID 160683071) is 2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-2,5-bis(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis(iridium).

What is the SMILES notation for 2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-2,5-bis(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis(iridium)?

The canonical SMILES for 2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-2,5-bis(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis(iridium) is [2H]C(C)(C)c1ccc2c(n1)sc1c(-c3cc(C([2H])([2H])C(C)(C)C)ccn3)[c-]ccc12.[2H]C([2H])([2H])c1ccc2c(n1)sc1c(-c3cc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])ccn3)[c-]cc(C([2H])([2H])[2H])c12.[2H]C([2H])([2H])c1ccc2c(n1)sc1c(-c3cc(C([2H])(C)C)ccn3)[c-]ccc12.[2H]C([2H])([2H])c1ccc2c(n1)sc1c(-c3cc(C([2H])([2H])C(C)C)ccn3)[c-]ccc12.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)C.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-2,5-bis(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis(iridium)?

The InChIKey is CLPDVRRVKQZOIE-JMCXTSRPSA-N. The full InChI is InChI=1S/C24H25N2S.C22H21N2S.C21H19N2S.C20H17N2S.4C18H24NSi.4Ir/c1-15(2)20-10-9-18-17-7-6-8-19(22(17)27-23(18)26-20)21-13-16(11-12-25-21)14-24(3,4)5;1-13-6-8-16(18-12-15(10-11-23-18)22(3,4)5)20-19(13)17-9-7-14(2)24-21(17)25-20;1-13(2)11-15-9-10-22-19(12-15)18-6-4-5-16-17-8-7-14(3)23-21(17)24-20(16)18;1-12(2)14-9-10-21-18(11-14)17-6-4-5-15-16-8-7-13(3)22-20(16)23-19(15)17;4*1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;;;;/h6-7,9-13,15H,14H2,1-5H3;6-7,9-12H,1-5H3;4-5,7-10,12-13H,11H2,1-3H3;4-5,7-12H,1-3H3;4*6-9,12-14H,11H2,1-5H3;;;;/q8*-1;;;;/i14D2,15D;1D3,2D3,3D3,4D3,5D3;3D3,11D2;3D3,12D;4*11D2;;;;.

What are the key properties of 2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-2,5-bis(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis(iridium)?

2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-2,5-bis(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis(iridium) has a molecular weight of 3301.95 g/mol, XLogP of 41.97, 29 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-deuteriopropan-2-yl)-8-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-2,5-bis(trideuteriomethyl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;tetrakis(iridium) is sourced from PubChem (CID 160683071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).