2-(7-fluoro-3H-dibenzothiophen-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

C39H41FGeIrN2S-2 — CID 164712411

About 2-(7-fluoro-3H-dibenzothiophen-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

2-(7-fluoro-3H-dibenzothiophen-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (PubChem CID 164712411) has the molecular formula C39H41FGeIrN2S-2 and a molecular weight of 853.66 g/mol. Its IUPAC name is 2-(7-fluoro-3H-dibenzothiophen-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

Molecular Properties

• Compound Name: 2-(7-fluoro-3H-dibenzothiophen-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• PubChem CID: 164712411
• Molecular Formula: C39H41FGeIrN2S-2
• Molecular Weight: 853.66 g/mol
• Exact Mass: 855.18
• IUPAC Name: 2-(7-fluoro-3H-dibenzothiophen-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1ccnc(-c2[c-]ccc3c2sc2cc(F)ccc23)c1.[Ir]
• InChI: InChI=1S/C21H17FNS.C18H24GeN.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;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h3-4,6-9,11-13H,10H2,1-2H3;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: AMZOBEKVABVWGQ-UHFFFAOYSA-N
• XLogP: 10.54
• TPSA: 25.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.66
LogP ≤ 5	10.54
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 2-(7-fluoro-3H-dibenzothiophen-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?

The IUPAC name of 2-(7-fluoro-3H-dibenzothiophen-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (CID 164712411) is 2-(7-fluoro-3H-dibenzothiophen-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

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

The canonical SMILES for 2-(7-fluoro-3H-dibenzothiophen-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1ccnc(-c2[c-]ccc3c2sc2cc(F)ccc23)c1.[Ir].

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

The InChIKey is AMZOBEKVABVWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FNS.C18H24GeN.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;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h3-4,6-9,11-13H,10H2,1-2H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.

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

2-(7-fluoro-3H-dibenzothiophen-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane has a molecular weight of 853.66 g/mol, XLogP of 10.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-fluoro-3H-dibenzothiophen-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is sourced from PubChem (CID 164712411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).