4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane

C35H35FGeIrN2-2 — CID 162707687

About 4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane

4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane (PubChem CID 162707687) has the molecular formula C35H35FGeIrN2-2 and a molecular weight of 770.52 g/mol. Its IUPAC name is 4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane.

Molecular Properties

• Compound Name: 4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
• PubChem CID: 162707687
• Molecular Formula: C35H35FGeIrN2-2
• Molecular Weight: 770.52 g/mol
• Exact Mass: 772.18
• IUPAC Name: 4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
• SMILES: CC(C)(c1ccccc1)c1cc[c-]c(-c2cc(F)ccn2)c1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.[Ir]
• InChI: InChI=1S/C20H17FN.C15H18GeN.Ir/c1-20(2,16-8-4-3-5-9-16)17-10-6-7-15(13-17)19-14-18(21)11-12-22-19;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;/h3-6,8-14H,1-2H3;5-7,9-11H,1-4H3;/q2*-1;/i;1D3
• InChIKey: RVOZXPKINDHGRJ-ICMJTWPQSA-N
• XLogP: 8.41
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	770.52
LogP ≤ 5	8.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

The IUPAC name of 4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane (CID 162707687) is 4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane.

What is the SMILES notation for 4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

The canonical SMILES for 4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane is CC(C)(c1ccccc1)c1cc[c-]c(-c2cc(F)ccn2)c1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc1.[Ir].

What is the InChIKey of 4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

The InChIKey is RVOZXPKINDHGRJ-ICMJTWPQSA-N. The full InChI is InChI=1S/C20H17FN.C15H18GeN.Ir/c1-20(2,16-8-4-3-5-9-16)17-10-6-7-15(13-17)19-14-18(21)11-12-22-19;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;/h3-6,8-14H,1-2H3;5-7,9-11H,1-4H3;/q2*-1;/i;1D3;.

What are the key properties of 4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane?

4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane has a molecular weight of 770.52 g/mol, XLogP of 8.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-2-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane is sourced from PubChem (CID 162707687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).