2-tert-butyl-8-[7-methyl-1-(4-phenylphenyl)imidazo[4,5-f]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(2,2-dimethylpropyl)-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-7-(trideuteriomethyl)imidazo[4,5-f]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;bis(iridium)

C124H120F2Ir2N10O2Si2-4 — CID 162238742

About 2-tert-butyl-8-[7-methyl-1-(4-phenylphenyl)imidazo[4,5-f]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(2,2-dimethylpropyl)-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-7-(trideuteriomethyl)imidazo[4,5-f]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;bis(iridium)

2-tert-butyl-8-[7-methyl-1-(4-phenylphenyl)imidazo[4,5-f]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(2,2-dimethylpropyl)-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-7-(trideuteriomethyl)imidazo[4,5-f]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;bis(iridium) (PubChem CID 162238742) has the molecular formula C124H120F2Ir2N10O2Si2-4 and a molecular weight of 2265.02 g/mol. Its IUPAC name is 2-tert-butyl-8-[7-methyl-1-(4-phenylphenyl)imidazo[4,5-f]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(2,2-dimethylpropyl)-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-7-(trideuteriomethyl)imidazo[4,5-f]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;bis(iridium).

Molecular Properties

• Compound Name: 2-tert-butyl-8-[7-methyl-1-(4-phenylphenyl)imidazo[4,5-f]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(2,2-dimethylpropyl)-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-7-(trideuteriomethyl)imidazo[4,5-f]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;bis(iridium)
• PubChem CID: 162238742
• Molecular Formula: C124H120F2Ir2N10O2Si2-4
• Molecular Weight: 2265.02 g/mol
• Exact Mass: 2264.86
• IUPAC Name: 2-tert-butyl-8-[7-methyl-1-(4-phenylphenyl)imidazo[4,5-f]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(2,2-dimethylpropyl)-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-7-(trideuteriomethyl)imidazo[4,5-f]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;bis(iridium)
• SMILES: CC(C)Cc1cc(-c2[c-]cc(F)c(-c3ccccc3)c2)ncc1[Si](C)(C)C.Cc1ccc2c(ccc3nc(-c4[c-]ccc5c4oc4nc(C(C)(C)C)ccc45)n(-c4ccc(-c5ccccc5)cc4)c32)n1.[2H]C(C)(C)c1cc(-c2[c-]cc(F)cc2)ncc1[Si](C)(C)C.[2H]C([2H])([2H])c1ccc2c(ccc3nc(-c4[c-]ccc5c4oc4nc(CC(C)(C)C)ccc45)n(-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)c32)n1.[Ir].[Ir]
• InChI: InChI=1S/C45H43N4O.C38H29N4O.C24H27FNSi.C17H21FNSi.2Ir/c1-26(2)36-23-30(29-13-10-9-11-14-29)24-37(27(3)4)40(36)49-41-34-19-17-28(5)46-38(34)21-22-39(41)48-43(49)35-16-12-15-32-33-20-18-31(25-45(6,7)8)47-44(33)50-42(32)35;1-23-13-18-29-31(39-23)20-21-32-34(29)42(26-16-14-25(15-17-26)24-9-6-5-7-10-24)36(40-32)30-12-8-11-27-28-19-22-33(38(2,3)4)41-37(28)43-35(27)30;1-17(2)13-20-15-23(26-16-24(20)27(3,4)5)19-11-12-22(25)21(14-19)18-9-7-6-8-10-18;1-12(2)15-10-16(13-6-8-14(18)9-7-13)19-11-17(15)20(3,4)5;;/h9-15,17-24,26-27H,25H2,1-8H3;5-11,13-22H,1-4H3;6-10,12,14-17H,13H2,1-5H3;6,8-12H,1-5H3;;/q4*-1;;/i5D3;;;12D
• InChIKey: NWRQWRMABANBGK-FGKQFNKPSA-N
• XLogP: 32.20
• TPSA: 139.26 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2265.02
LogP ≤ 5	32.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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 2-tert-butyl-8-[7-methyl-1-(4-phenylphenyl)imidazo[4,5-f]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(2,2-dimethylpropyl)-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-7-(trideuteriomethyl)imidazo[4,5-f]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;bis(iridium)?

The IUPAC name of 2-tert-butyl-8-[7-methyl-1-(4-phenylphenyl)imidazo[4,5-f]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(2,2-dimethylpropyl)-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-7-(trideuteriomethyl)imidazo[4,5-f]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;bis(iridium) (CID 162238742) is 2-tert-butyl-8-[7-methyl-1-(4-phenylphenyl)imidazo[4,5-f]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(2,2-dimethylpropyl)-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-7-(trideuteriomethyl)imidazo[4,5-f]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;bis(iridium).

What is the SMILES notation for 2-tert-butyl-8-[7-methyl-1-(4-phenylphenyl)imidazo[4,5-f]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(2,2-dimethylpropyl)-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-7-(trideuteriomethyl)imidazo[4,5-f]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;bis(iridium)?

The canonical SMILES for 2-tert-butyl-8-[7-methyl-1-(4-phenylphenyl)imidazo[4,5-f]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(2,2-dimethylpropyl)-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-7-(trideuteriomethyl)imidazo[4,5-f]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;bis(iridium) is CC(C)Cc1cc(-c2[c-]cc(F)c(-c3ccccc3)c2)ncc1[Si](C)(C)C.Cc1ccc2c(ccc3nc(-c4[c-]ccc5c4oc4nc(C(C)(C)C)ccc45)n(-c4ccc(-c5ccccc5)cc4)c32)n1.[2H]C(C)(C)c1cc(-c2[c-]cc(F)cc2)ncc1[Si](C)(C)C.[2H]C([2H])([2H])c1ccc2c(ccc3nc(-c4[c-]ccc5c4oc4nc(CC(C)(C)C)ccc45)n(-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)c32)n1.[Ir].[Ir].

What is the InChIKey of 2-tert-butyl-8-[7-methyl-1-(4-phenylphenyl)imidazo[4,5-f]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(2,2-dimethylpropyl)-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-7-(trideuteriomethyl)imidazo[4,5-f]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;bis(iridium)?

The InChIKey is NWRQWRMABANBGK-FGKQFNKPSA-N. The full InChI is InChI=1S/C45H43N4O.C38H29N4O.C24H27FNSi.C17H21FNSi.2Ir/c1-26(2)36-23-30(29-13-10-9-11-14-29)24-37(27(3)4)40(36)49-41-34-19-17-28(5)46-38(34)21-22-39(41)48-43(49)35-16-12-15-32-33-20-18-31(25-45(6,7)8)47-44(33)50-42(32)35;1-23-13-18-29-31(39-23)20-21-32-34(29)42(26-16-14-25(15-17-26)24-9-6-5-7-10-24)36(40-32)30-12-8-11-27-28-19-22-33(38(2,3)4)41-37(28)43-35(27)30;1-17(2)13-20-15-23(26-16-24(20)27(3,4)5)19-11-12-22(25)21(14-19)18-9-7-6-8-10-18;1-12(2)15-10-16(13-6-8-14(18)9-7-13)19-11-17(15)20(3,4)5;;/h9-15,17-24,26-27H,25H2,1-8H3;5-11,13-22H,1-4H3;6-10,12,14-17H,13H2,1-5H3;6,8-12H,1-5H3;;/q4*-1;;/i5D3;;;12D;;.

What are the key properties of 2-tert-butyl-8-[7-methyl-1-(4-phenylphenyl)imidazo[4,5-f]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(2,2-dimethylpropyl)-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-7-(trideuteriomethyl)imidazo[4,5-f]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;bis(iridium)?

2-tert-butyl-8-[7-methyl-1-(4-phenylphenyl)imidazo[4,5-f]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(2,2-dimethylpropyl)-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-7-(trideuteriomethyl)imidazo[4,5-f]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;bis(iridium) has a molecular weight of 2265.02 g/mol, XLogP of 32.20, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-8-[7-methyl-1-(4-phenylphenyl)imidazo[4,5-f]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2-deuteriopropan-2-yl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-(2,2-dimethylpropyl)-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-7-(trideuteriomethyl)imidazo[4,5-f]quinolin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-fluoro-3-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;bis(iridium) is sourced from PubChem (CID 162238742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).