[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

C₅₅H₅₂F₃GeIrN₅O₂-2 — CID 156671855

About [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (PubChem CID 156671855) has the molecular formula C₅₅H₅₂F₃GeIrN₅O₂-2 and a molecular weight of 1136.87 g/mol. Its IUPAC name is [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

Molecular Properties

• Compound Name: [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
• PubChem CID: 156671855
• Molecular Formula: C₅₅H₅₂F₃GeIrN₅O₂-2
• Molecular Weight: 1136.87 g/mol
• Exact Mass: 1138.29
• IUPAC Name: [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
• SMILES: CC(C)Cc1cc(-c2[c-]ccc3c2oc2ccccc23)ncc1[Ge](C)(C)C.Cc1cc2nc(-c3[c-]ccc4c3oc3nc(C(F)(F)F)ccc34)n(-c3c(C(C)C)cccc3C(C)C)c2cn1.[Ir]
• InChI: InChI=1S/C31H26F3N4O.C24H26GeNO.Ir/c1-16(2)19-8-6-9-20(17(3)4)27(19)38-25-15-35-18(5)14-24(25)36-29(38)23-11-7-10-21-22-12-13-26(31(32,33)34)37-30(22)39-28(21)23;1-16(2)13-17-14-22(26-15-21(17)25(3,4)5)20-11-8-10-19-18-9-6-7-12-23(18)27-24(19)20;/h6-10,12-17H,1-5H3;6-10,12,14-16H,13H2,1-5H3;/q2*-1
• InChIKey: VUKGUCDOZJZTKS-UHFFFAOYSA-N
• XLogP: 14.95
• TPSA: 82.77 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1136.87
LogP ≤ 5	14.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The IUPAC name of [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (CID 156671855) is [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

What is the SMILES notation for [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The canonical SMILES for [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is CC(C)Cc1cc(-c2[c-]ccc3c2oc2ccccc23)ncc1[Ge](C)(C)C.Cc1cc2nc(-c3[c-]ccc4c3oc3nc(C(F)(F)F)ccc34)n(-c3c(C(C)C)cccc3C(C)C)c2cn1.[Ir].

What is the InChIKey of [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The InChIKey is VUKGUCDOZJZTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F3N4O.C24H26GeNO.Ir/c1-16(2)19-8-6-9-20(17(3)4)27(19)38-25-15-35-18(5)14-24(25)36-29(38)23-11-7-10-21-22-12-13-26(31(32,33)34)37-30(22)39-28(21)23;1-16(2)13-17-14-22(26-15-21(17)25(3,4)5)20-11-8-10-19-18-9-6-7-12-23(18)27-24(19)20;/h6-10,12-17H,1-5H3;6-10,12,14-16H,13H2,1-5H3;/q2*-1;.

What are the key properties of [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium has a molecular weight of 1136.87 g/mol, XLogP of 14.95, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is sourced from PubChem (CID 156671855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156671855 — identifiers, structure, computed properties (public domain)

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