8-(1-benzylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-(1-ethylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;10-(1-phenylbenzimidazol-2-yl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide

C165H156Ir4N16O4Si4-8 — CID 161125232

About 8-(1-benzylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-(1-ethylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;10-(1-phenylbenzimidazol-2-yl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide

8-(1-benzylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-(1-ethylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;10-(1-phenylbenzimidazol-2-yl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide (PubChem CID 161125232) has the molecular formula C165H156Ir4N16O4Si4-8 and a molecular weight of 3312.41 g/mol. Its IUPAC name is 8-(1-benzylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-(1-ethylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;10-(1-phenylbenzimidazol-2-yl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide.

Molecular Properties

• Compound Name: 8-(1-benzylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-(1-ethylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;10-(1-phenylbenzimidazol-2-yl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide
• PubChem CID: 161125232
• Molecular Formula: C165H156Ir4N16O4Si4-8
• Molecular Weight: 3312.41 g/mol
• Exact Mass: 3313.04
• IUPAC Name: 8-(1-benzylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-(1-ethylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;10-(1-phenylbenzimidazol-2-yl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide
• SMILES: CCn1c(-c2[c-]ccc3c2oc2nc(C)ccc23)nc2ccccc21.Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3C(C)C)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3Cc3ccccc3)[c-]ccc12.[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.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3c4ccccc4cnc23)c1-c1nc2ccccc2n1-c1ccccc1
• InChI: InChI=1S/C28H16N3O.C26H18N3O.C22H18N3O.C21H16N3O.4C17H22NSi.4Ir/c1-2-10-19(11-3-1)31-24-16-7-6-15-23(24)30-28(31)22-14-8-13-21-25-27(32-26(21)22)20-12-5-4-9-18(20)17-29-25;1-17-14-15-20-19-10-7-11-21(24(19)30-26(20)27-17)25-28-22-12-5-6-13-23(22)29(25)16-18-8-3-2-4-9-18;1-13(2)25-19-10-5-4-9-18(19)24-21(25)17-8-6-7-15-16-12-11-14(3)23-22(16)26-20(15)17;1-3-24-18-10-5-4-9-17(18)23-20(24)16-8-6-7-14-15-12-11-13(2)22-21(15)25-19(14)16;4*1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;;;;/h1-13,15-17H;2-10,12-15H,16H2,1H3;4-7,9-13H,1-3H3;4-7,9-12H,3H2,1-2H3;4*6-9,11-13H,1-5H3;;;;/q8*-1;;;;/i;;;;4*13D
• InChIKey: OLYCTEFOFFYVMU-JSQPIHLDSA-N
• XLogP: 40.77
• TPSA: 226.96 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3312.41
LogP ≤ 5	40.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

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-(1-benzylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-(1-ethylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;10-(1-phenylbenzimidazol-2-yl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide?

The IUPAC name of 8-(1-benzylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-(1-ethylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;10-(1-phenylbenzimidazol-2-yl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide (CID 161125232) is 8-(1-benzylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-(1-ethylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;10-(1-phenylbenzimidazol-2-yl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide.

What is the SMILES notation for 8-(1-benzylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-(1-ethylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;10-(1-phenylbenzimidazol-2-yl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide?

The canonical SMILES for 8-(1-benzylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-(1-ethylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;10-(1-phenylbenzimidazol-2-yl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide is CCn1c(-c2[c-]ccc3c2oc2nc(C)ccc23)nc2ccccc21.Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3C(C)C)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3Cc3ccccc3)[c-]ccc12.[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.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3c4ccccc4cnc23)c1-c1nc2ccccc2n1-c1ccccc1.

What is the InChIKey of 8-(1-benzylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-(1-ethylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;10-(1-phenylbenzimidazol-2-yl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide?

The InChIKey is OLYCTEFOFFYVMU-JSQPIHLDSA-N. The full InChI is InChI=1S/C28H16N3O.C26H18N3O.C22H18N3O.C21H16N3O.4C17H22NSi.4Ir/c1-2-10-19(11-3-1)31-24-16-7-6-15-23(24)30-28(31)22-14-8-13-21-25-27(32-26(21)22)20-12-5-4-9-18(20)17-29-25;1-17-14-15-20-19-10-7-11-21(24(19)30-26(20)27-17)25-28-22-12-5-6-13-23(22)29(25)16-18-8-3-2-4-9-18;1-13(2)25-19-10-5-4-9-18(19)24-21(25)17-8-6-7-15-16-12-11-14(3)23-22(16)26-20(15)17;1-3-24-18-10-5-4-9-17(18)23-20(24)16-8-6-7-14-15-12-11-13(2)22-21(15)25-19(14)16;4*1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;;;;/h1-13,15-17H;2-10,12-15H,16H2,1H3;4-7,9-13H,1-3H3;4-7,9-12H,3H2,1-2H3;4*6-9,11-13H,1-5H3;;;;/q8*-1;;;;/i;;;;4*13D;;;;.

What are the key properties of 8-(1-benzylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-(1-ethylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;10-(1-phenylbenzimidazol-2-yl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide?

8-(1-benzylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-(1-ethylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;10-(1-phenylbenzimidazol-2-yl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide has a molecular weight of 3312.41 g/mol, XLogP of 40.77, 21 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1-benzylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-(1-ethylbenzimidazol-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);2-methyl-8-(1-propan-2-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;10-(1-phenylbenzimidazol-2-yl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide is sourced from PubChem (CID 161125232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).