4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium

C39H41FGeIrN2S-2 — CID 164711927

About 4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium

4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 164711927) has the molecular formula C39H41FGeIrN2S-2 and a molecular weight of 854.67 g/mol. Its IUPAC name is 4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

• Compound Name: 4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
• PubChem CID: 164711927
• Molecular Formula: C39H41FGeIrN2S-2
• Molecular Weight: 854.67 g/mol
• Exact Mass: 856.19
• IUPAC Name: 4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzothiophen-3-id-4-yl)pyridine;[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-]ccc3c2sc2cccc(F)c23)c1.[Ir]
• InChI: InChI=1S/C20H15FNS.C19H26GeN.Ir/c1-12(2)13-9-10-22-17(11-13)14-5-3-6-15-19-16(21)7-4-8-18(19)23-20(14)15;1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;/h3-4,6-12H,1-2H3;7-10,12,14H,13H2,1-6H3;/q2*-1;/i12D
• InChIKey: OCCGUIUTNRQPOP-USJWNWRASA-N
• XLogP: 10.86
• TPSA: 25.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	854.67
LogP ≤ 5	10.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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)-2-(9-fluoro-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?

The IUPAC name of 4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium (CID 164711927) is 4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium.

What is the SMILES notation for 4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?

The canonical SMILES for 4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzothiophen-3-id-4-yl)pyridine;[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-]ccc3c2sc2cccc(F)c23)c1.[Ir].

What is the InChIKey of 4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?

The InChIKey is OCCGUIUTNRQPOP-USJWNWRASA-N. The full InChI is InChI=1S/C20H15FNS.C19H26GeN.Ir/c1-12(2)13-9-10-22-17(11-13)14-5-3-6-15-19-16(21)7-4-8-18(19)23-20(14)15;1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;/h3-4,6-12H,1-2H3;7-10,12,14H,13H2,1-6H3;/q2*-1;/i12D;;.

What are the key properties of 4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium?

4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 854.67 g/mol, XLogP of 10.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-deuteriopropan-2-yl)-2-(9-fluoro-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 164711927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).