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

C38H40FGeIrN3O-2 — CID 164712211

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

8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-4-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 164712211) has the molecular formula C38H40FGeIrN3O-2 and a molecular weight of 839.59 g/mol. Its IUPAC name is 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-4-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

• Compound Name: 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-4-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
• PubChem CID: 164712211
• Molecular Formula: C38H40FGeIrN3O-2
• Molecular Weight: 839.59 g/mol
• Exact Mass: 841.21
• IUPAC Name: 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-4-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
• SMILES: CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[2H]C(C)(C)c1ccnc(-c2[c-]ccc3c2oc2nccc(F)c23)c1.[Ir]
• InChI: InChI=1S/C19H14FN2O.C19H26GeN.Ir/c1-11(2)12-6-8-21-16(10-12)13-4-3-5-14-17-15(20)7-9-22-19(17)23-18(13)14;1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;/h3,5-11H,1-2H3;7-10,12,14H,13H2,1-6H3;/q2*-1;/i11D
• InChIKey: PKTCKQOUVNYYEG-IPPMSNHBSA-N
• XLogP: 9.79
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	839.59
LogP ≤ 5	9.79
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 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-4-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?

The IUPAC name of 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-4-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium (CID 164712211) is 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-4-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium.

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

The canonical SMILES for 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-4-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium is CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[2H]C(C)(C)c1ccnc(-c2[c-]ccc3c2oc2nccc(F)c23)c1.[Ir].

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

The InChIKey is PKTCKQOUVNYYEG-IPPMSNHBSA-N. The full InChI is InChI=1S/C19H14FN2O.C19H26GeN.Ir/c1-11(2)12-6-8-21-16(10-12)13-4-3-5-14-17-15(20)7-9-22-19(17)23-18(13)14;1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;/h3,5-11H,1-2H3;7-10,12,14H,13H2,1-6H3;/q2*-1;/i11D;;.

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

8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-4-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 839.59 g/mol, XLogP of 9.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-4-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 164712211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).