[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

C36H36FGeIrN3O-2 — CID 164711828

About [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (PubChem CID 164711828) has the molecular formula C36H36FGeIrN3O-2 and a molecular weight of 812.54 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

Molecular Properties

• Compound Name: [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
• PubChem CID: 164711828
• Molecular Formula: C36H36FGeIrN3O-2
• Molecular Weight: 812.54 g/mol
• Exact Mass: 814.18
• IUPAC Name: [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
• SMILES: [2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[2H]C(C)(C)c1ccnc(-c2[c-]cc(F)c3c2oc2ncccc23)c1.[Ir]
• InChI: InChI=1S/C19H14FN2O.C17H22GeN.Ir/c1-11(2)12-7-9-21-16(10-12)13-5-6-15(20)17-14-4-3-8-22-19(14)23-18(13)17;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h3-4,6-11H,1-2H3;6-9,11-13H,1-5H3;/q2*-1;/i11D;13D
• InChIKey: XQVWCSDXKIYNMR-GJEWEKETSA-N
• XLogP: 9.32
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	812.54
LogP ≤ 5	9.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium (CID 164711828) is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium.

What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is [2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[2H]C(C)(C)c1ccnc(-c2[c-]cc(F)c3c2oc2ncccc23)c1.[Ir].

What is the InChIKey of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

The InChIKey is XQVWCSDXKIYNMR-GJEWEKETSA-N. The full InChI is InChI=1S/C19H14FN2O.C17H22GeN.Ir/c1-11(2)12-7-9-21-16(10-12)13-5-6-15(20)17-14-4-3-8-22-19(14)23-18(13)17;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h3-4,6-11H,1-2H3;6-9,11-13H,1-5H3;/q2*-1;/i11D;13D;.

What are the key properties of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium?

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium has a molecular weight of 812.54 g/mol, XLogP of 9.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-5-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium is sourced from PubChem (CID 164711828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).