[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium

C38H39FGeIrN2O-2 — CID 164711786

About [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium (PubChem CID 164711786) has the molecular formula C38H39FGeIrN2O-2 and a molecular weight of 824.57 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium.

Molecular Properties

• Compound Name: [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium
• PubChem CID: 164711786
• Molecular Formula: C38H39FGeIrN2O-2
• Molecular Weight: 824.57 g/mol
• Exact Mass: 826.20
• IUPAC Name: [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium
• SMILES: CC(C)Cc1ccnc(-c2[c-]ccc3c2oc2cc(F)ccc23)c1.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir]
• InChI: InChI=1S/C21H17FNO.C17H22GeN.Ir/c1-13(2)10-14-8-9-23-19(11-14)18-5-3-4-17-16-7-6-15(22)12-20(16)24-21(17)18;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h3-4,6-9,11-13H,10H2,1-2H3;6-9,11-13H,1-5H3;/q2*-1;/i;13D
• InChIKey: ZHSBCBKEWIRAHG-LTBAMTPYSA-N
• XLogP: 10.00
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	824.57
LogP ≤ 5	10.00
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)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium?

The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium (CID 164711786) is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium.

What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium?

The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium is CC(C)Cc1ccnc(-c2[c-]ccc3c2oc2cc(F)ccc23)c1.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].

What is the InChIKey of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium?

The InChIKey is ZHSBCBKEWIRAHG-LTBAMTPYSA-N. The full InChI is InChI=1S/C21H17FNO.C17H22GeN.Ir/c1-13(2)10-14-8-9-23-19(11-14)18-5-3-4-17-16-7-6-15(22)12-20(16)24-21(17)18;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h3-4,6-9,11-13H,10H2,1-2H3;6-9,11-13H,1-5H3;/q2*-1;/i;13D;.

What are the key properties of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium?

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium has a molecular weight of 824.57 g/mol, XLogP of 10.00, 6 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)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium is sourced from PubChem (CID 164711786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).