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;iridium

C69H70FIrN5OSi-2 — CID 156668349

About 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;iridium

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;iridium (PubChem CID 156668349) has the molecular formula C69H70FIrN5OSi-2 and a molecular weight of 1227.67 g/mol. Its IUPAC name is 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;iridium.

Molecular Properties

• Compound Name: 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;iridium
• PubChem CID: 156668349
• Molecular Formula: C69H70FIrN5OSi-2
• Molecular Weight: 1227.67 g/mol
• Exact Mass: 1227.52
• IUPAC Name: 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;iridium
• SMILES: CC(C)Cc1cc(-c2[c-]cc(F)c(-c3ccccc3)c2)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]
• InChI: InChI=1S/C45H43N4O.C24H27FNSi.Ir/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;1-17(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;/h9-15,17-24,26-27H,25H2,1-8H3;6-10,12,14-17H,13H2,1-5H3;/q2*-1;/i5D3
• InChIKey: APJWZKXOPWDOQZ-YLSPSJLGSA-N
• XLogP: 18.24
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1227.67
LogP ≤ 5	18.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-(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;iridium?

The IUPAC name of 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;iridium (CID 156668349) is 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;iridium.

What is the SMILES notation for 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;iridium?

The canonical SMILES for 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;iridium is CC(C)Cc1cc(-c2[c-]cc(F)c(-c3ccccc3)c2)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].

What is the InChIKey of 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;iridium?

The InChIKey is APJWZKXOPWDOQZ-YLSPSJLGSA-N. The full InChI is InChI=1S/C45H43N4O.C24H27FNSi.Ir/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;1-17(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;/h9-15,17-24,26-27H,25H2,1-8H3;6-10,12,14-17H,13H2,1-5H3;/q2*-1;/i5D3;;.

What are the key properties of 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;iridium?

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;iridium has a molecular weight of 1227.67 g/mol, XLogP of 18.24, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 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;iridium is sourced from PubChem (CID 156668349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).