8-[1-[(4-tert-butyl-2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;8-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)silane)

C181H145FIr3N12O3Si3-6 — CID 161237881

About 8-[1-[(4-tert-butyl-2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;8-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)silane)

8-[1-[(4-tert-butyl-2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;8-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)silane) (PubChem CID 161237881) has the molecular formula C181H145FIr3N12O3Si3-6 and a molecular weight of 3225.19 g/mol. Its IUPAC name is 8-[1-[(4-tert-butyl-2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;8-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)silane).

Molecular Properties

• Compound Name: 8-[1-[(4-tert-butyl-2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;8-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)silane)
• PubChem CID: 161237881
• Molecular Formula: C181H145FIr3N12O3Si3-6
• Molecular Weight: 3225.19 g/mol
• Exact Mass: 3225.03
• IUPAC Name: 8-[1-[(4-tert-butyl-2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;8-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)silane)
• SMILES: C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2cc3c(cn2)oc2c(-c4nc5cccc(F)c5n4-c4cc(-c5ccccc5)ccc4-c4ccccc4)[c-]ccc23)cc1.[2H]C([2H])([2H])c1ccc(-c2ccc3c(n2)oc2c(-c4nc5ccccc5n4Cc4c(-c5ccccc5)cc(C(C)(C)C)cc4-c4ccccc4)[c-]ccc23)cc1.[2H]C([2H])([2H])c1ccc(-c2nc3oc4c(-c5nc6ccccc6n5Cc5c(-c6ccccc6)cccc5-c5ccccc5)[c-]ccc4c3c3ccccc23)cc1.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C48H32N3O.C48H38N3O.C43H27FN3O.3C14H16NSi.3Ir/c1-31-26-28-34(29-27-31)45-38-19-9-8-18-37(38)44-39-22-13-23-40(46(39)52-48(44)50-45)47-49-42-24-10-11-25-43(42)51(47)30-41-35(32-14-4-2-5-15-32)20-12-21-36(41)33-16-6-3-7-17-33;1-31-22-24-34(25-23-31)42-27-26-37-36-18-13-19-38(45(36)52-47(37)50-42)46-49-43-20-11-12-21-44(43)51(46)30-41-39(32-14-7-5-8-15-32)28-35(48(2,3)4)29-40(41)33-16-9-6-10-17-33;1-27-18-20-30(21-19-27)38-25-35-33-14-8-15-34(42(33)48-40(35)26-45-38)43-46-37-17-9-16-36(44)41(37)47(43)39-24-31(28-10-4-2-5-11-28)22-23-32(39)29-12-6-3-7-13-29;3*1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;/h2-22,24-29H,30H2,1H3;5-18,20-29H,30H2,1-4H3;2-14,16-26H,1H3;3*4-7,9-11H,1-3H3;;;/q6*-1;;;/i3*1D3
• InChIKey: IDKOGSYTNQINRB-IRRFIYEWSA-N
• XLogP: 45.27
• TPSA: 170.22 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 26
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3225.19
LogP ≤ 5	45.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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-[(4-tert-butyl-2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;8-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)silane)?

The IUPAC name of 8-[1-[(4-tert-butyl-2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;8-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)silane) (CID 161237881) is 8-[1-[(4-tert-butyl-2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;8-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)silane).

What is the SMILES notation for 8-[1-[(4-tert-butyl-2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;8-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)silane)?

The canonical SMILES for 8-[1-[(4-tert-butyl-2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;8-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)silane) is C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1ccc(-c2cc3c(cn2)oc2c(-c4nc5cccc(F)c5n4-c4cc(-c5ccccc5)ccc4-c4ccccc4)[c-]ccc23)cc1.[2H]C([2H])([2H])c1ccc(-c2ccc3c(n2)oc2c(-c4nc5ccccc5n4Cc4c(-c5ccccc5)cc(C(C)(C)C)cc4-c4ccccc4)[c-]ccc23)cc1.[2H]C([2H])([2H])c1ccc(-c2nc3oc4c(-c5nc6ccccc6n5Cc5c(-c6ccccc6)cccc5-c5ccccc5)[c-]ccc4c3c3ccccc23)cc1.[Ir].[Ir].[Ir].

What is the InChIKey of 8-[1-[(4-tert-butyl-2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;8-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)silane)?

The InChIKey is IDKOGSYTNQINRB-IRRFIYEWSA-N. The full InChI is InChI=1S/C48H32N3O.C48H38N3O.C43H27FN3O.3C14H16NSi.3Ir/c1-31-26-28-34(29-27-31)45-38-19-9-8-18-37(38)44-39-22-13-23-40(46(39)52-48(44)50-45)47-49-42-24-10-11-25-43(42)51(47)30-41-35(32-14-4-2-5-15-32)20-12-21-36(41)33-16-6-3-7-17-33;1-31-22-24-34(25-23-31)42-27-26-37-36-18-13-19-38(45(36)52-47(37)50-42)46-49-43-20-11-12-21-44(43)51(46)30-41-39(32-14-7-5-8-15-32)28-35(48(2,3)4)29-40(41)33-16-9-6-10-17-33;1-27-18-20-30(21-19-27)38-25-35-33-14-8-15-34(42(33)48-40(35)26-45-38)43-46-37-17-9-16-36(44)41(37)47(43)39-24-31(28-10-4-2-5-11-28)22-23-32(39)29-12-6-3-7-13-29;3*1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;;;/h2-22,24-29H,30H2,1H3;5-18,20-29H,30H2,1-4H3;2-14,16-26H,1H3;3*4-7,9-11H,1-3H3;;;/q6*-1;;;/i3*1D3;;;;;;.

What are the key properties of 8-[1-[(4-tert-butyl-2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;8-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)silane)?

8-[1-[(4-tert-butyl-2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;8-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)silane) has a molecular weight of 3225.19 g/mol, XLogP of 45.27, 26 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-[(4-tert-butyl-2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-2-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-3-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;8-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-5-[4-(trideuteriomethyl)phenyl]-9H-[1]benzofuro[2,3-c]isoquinolin-9-ide;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)silane) is sourced from PubChem (CID 161237881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).