8-[4-(1-cyclohexyl-1-deuterioethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-deuterio-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclopentyl(dideuterio)methyl]-2-pyridinyl]-2,3,4,5,6-pentadeuterio-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-deuterio-3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium)

C158H170Ir4N12O4Si4-8 — CID 159640743

About 8-[4-(1-cyclohexyl-1-deuterioethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-deuterio-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclopentyl(dideuterio)methyl]-2-pyridinyl]-2,3,4,5,6-pentadeuterio-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-deuterio-3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium)

8-[4-(1-cyclohexyl-1-deuterioethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-deuterio-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclopentyl(dideuterio)methyl]-2-pyridinyl]-2,3,4,5,6-pentadeuterio-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-deuterio-3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium) (PubChem CID 159640743) has the molecular formula C158H170Ir4N12O4Si4-8 and a molecular weight of 3198.49 g/mol. Its IUPAC name is 8-[4-(1-cyclohexyl-1-deuterioethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-deuterio-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclopentyl(dideuterio)methyl]-2-pyridinyl]-2,3,4,5,6-pentadeuterio-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-deuterio-3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium).

Molecular Properties

• Compound Name: 8-[4-(1-cyclohexyl-1-deuterioethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-deuterio-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclopentyl(dideuterio)methyl]-2-pyridinyl]-2,3,4,5,6-pentadeuterio-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-deuterio-3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium)
• PubChem CID: 159640743
• Molecular Formula: C158H170Ir4N12O4Si4-8
• Molecular Weight: 3198.49 g/mol
• Exact Mass: 3199.21
• IUPAC Name: 8-[4-(1-cyclohexyl-1-deuterioethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-deuterio-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclopentyl(dideuterio)methyl]-2-pyridinyl]-2,3,4,5,6-pentadeuterio-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-deuterio-3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium)
• SMILES: [2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C(C)(c1ccnc(-c2[c-]ccc3c2oc2ncccc23)c1)C(C)C.[2H]C(C)(c1ccnc(-c2[c-]ccc3c2oc2ncccc23)c1)C1CCCCC1.[2H]c1[c-]c(-c2cc(C([2H])([2H])C3CCCC3)ccn2)c2oc3nc([2H])c([2H])c([2H])c3c2c1[2H].[2H]c1ccc2c(n1)oc1c(-c3cc(C([2H])([2H])C4CCCCC4)ccn3)[c-]ccc12.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C24H23N2O.C23H21N2O.C22H19N2O.C21H19N2O.4C17H22NSi.4Ir/c1-16(17-7-3-2-4-8-17)18-12-14-25-22(15-18)21-10-5-9-19-20-11-6-13-26-24(20)27-23(19)21;1-2-6-16(7-3-1)14-17-11-13-24-21(15-17)20-9-4-8-18-19-10-5-12-25-23(19)26-22(18)20;1-2-6-15(5-1)13-16-10-12-23-20(14-16)19-8-3-7-17-18-9-4-11-24-22(18)25-21(17)19;1-13(2)14(3)15-9-11-22-19(12-15)18-7-4-6-16-17-8-5-10-23-21(17)24-20(16)18;4*1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;;;;/h5-6,9,11-17H,2-4,7-8H2,1H3;4-5,8,10-13,15-16H,1-3,6-7,14H2;3-4,7,9-12,14-15H,1-2,5-6,13H2;4-6,8-14H,1-3H3;4*6-9,11-13H,1-5H3;;;;/q8*-1;;;;/i16D;12D,14D2;3D,4D,7D,9D,11D,13D2;14D;4*13D
• InChIKey: OGJZSSBHKQAVQD-KBTILSGLSA-N
• XLogP: 40.53
• TPSA: 207.24 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 24
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3198.49
LogP ≤ 5	40.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[4-(1-cyclohexyl-1-deuterioethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-deuterio-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclopentyl(dideuterio)methyl]-2-pyridinyl]-2,3,4,5,6-pentadeuterio-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-deuterio-3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium)?

The IUPAC name of 8-[4-(1-cyclohexyl-1-deuterioethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-deuterio-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclopentyl(dideuterio)methyl]-2-pyridinyl]-2,3,4,5,6-pentadeuterio-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-deuterio-3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium) (CID 159640743) is 8-[4-(1-cyclohexyl-1-deuterioethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-deuterio-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclopentyl(dideuterio)methyl]-2-pyridinyl]-2,3,4,5,6-pentadeuterio-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-deuterio-3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium).

What is the SMILES notation for 8-[4-(1-cyclohexyl-1-deuterioethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-deuterio-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclopentyl(dideuterio)methyl]-2-pyridinyl]-2,3,4,5,6-pentadeuterio-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-deuterio-3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium)?

The canonical SMILES for 8-[4-(1-cyclohexyl-1-deuterioethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-deuterio-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclopentyl(dideuterio)methyl]-2-pyridinyl]-2,3,4,5,6-pentadeuterio-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-deuterio-3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium) is [2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]C(C)(c1ccnc(-c2[c-]ccc3c2oc2ncccc23)c1)C(C)C.[2H]C(C)(c1ccnc(-c2[c-]ccc3c2oc2ncccc23)c1)C1CCCCC1.[2H]c1[c-]c(-c2cc(C([2H])([2H])C3CCCC3)ccn2)c2oc3nc([2H])c([2H])c([2H])c3c2c1[2H].[2H]c1ccc2c(n1)oc1c(-c3cc(C([2H])([2H])C4CCCCC4)ccn3)[c-]ccc12.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 8-[4-(1-cyclohexyl-1-deuterioethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-deuterio-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclopentyl(dideuterio)methyl]-2-pyridinyl]-2,3,4,5,6-pentadeuterio-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-deuterio-3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium)?

The InChIKey is OGJZSSBHKQAVQD-KBTILSGLSA-N. The full InChI is InChI=1S/C24H23N2O.C23H21N2O.C22H19N2O.C21H19N2O.4C17H22NSi.4Ir/c1-16(17-7-3-2-4-8-17)18-12-14-25-22(15-18)21-10-5-9-19-20-11-6-13-26-24(20)27-23(19)21;1-2-6-16(7-3-1)14-17-11-13-24-21(15-17)20-9-4-8-18-19-10-5-12-25-23(19)26-22(18)20;1-2-6-15(5-1)13-16-10-12-23-20(14-16)19-8-3-7-17-18-9-4-11-24-22(18)25-21(17)19;1-13(2)14(3)15-9-11-22-19(12-15)18-7-4-6-16-17-8-5-10-23-21(17)24-20(16)18;4*1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;;;;/h5-6,9,11-17H,2-4,7-8H2,1H3;4-5,8,10-13,15-16H,1-3,6-7,14H2;3-4,7,9-12,14-15H,1-2,5-6,13H2;4-6,8-14H,1-3H3;4*6-9,11-13H,1-5H3;;;;/q8*-1;;;;/i16D;12D,14D2;3D,4D,7D,9D,11D,13D2;14D;4*13D;;;;.

What are the key properties of 8-[4-(1-cyclohexyl-1-deuterioethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-deuterio-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclopentyl(dideuterio)methyl]-2-pyridinyl]-2,3,4,5,6-pentadeuterio-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-deuterio-3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium)?

8-[4-(1-cyclohexyl-1-deuterioethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-deuterio-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclopentyl(dideuterio)methyl]-2-pyridinyl]-2,3,4,5,6-pentadeuterio-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-deuterio-3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium) has a molecular weight of 3198.49 g/mol, XLogP of 40.53, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(1-cyclohexyl-1-deuterioethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclohexyl(dideuterio)methyl]-2-pyridinyl]-2-deuterio-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-[cyclopentyl(dideuterio)methyl]-2-pyridinyl]-2,3,4,5,6-pentadeuterio-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(2-deuterio-3-methylbutan-2-yl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium) is sourced from PubChem (CID 159640743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).