iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane

C39H34GeIrN2O-2 — CID 171730776

About iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane

iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 171730776) has the molecular formula C39H34GeIrN2O-2 and a molecular weight of 817.58 g/mol. Its IUPAC name is iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

• Compound Name: iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
• PubChem CID: 171730776
• Molecular Formula: C39H34GeIrN2O-2
• Molecular Weight: 817.58 g/mol
• Exact Mass: 819.19
• IUPAC Name: iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
• SMILES: C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)cc1C([2H])([2H])[2H].[Ir]
• InChI: InChI=1S/C25H18NO.C14H16GeN.Ir/c1-16-13-23(26-15-17(16)2)22-10-6-9-21-20-12-11-19(14-24(20)27-25(21)22)18-7-4-3-5-8-18;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h3-9,11-15H,1-2H3;4-7,9-11H,1-3H3;/q2*-1;/i1D3,2D3
• InChIKey: CEEUVKUJVXGRPG-ADBWCSELSA-N
• XLogP: 9.82
• 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	817.58
LogP ≤ 5	9.82
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 iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane?

The IUPAC name of iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 171730776) is iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane.

What is the SMILES notation for iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane?

The canonical SMILES for iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane is C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[2H]C([2H])([2H])c1cnc(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)cc1C([2H])([2H])[2H].[Ir].

What is the InChIKey of iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane?

The InChIKey is CEEUVKUJVXGRPG-ADBWCSELSA-N. The full InChI is InChI=1S/C25H18NO.C14H16GeN.Ir/c1-16-13-23(26-15-17(16)2)22-10-6-9-21-20-12-11-19(14-24(20)27-25(21)22)18-7-4-3-5-8-18;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h3-9,11-15H,1-2H3;4-7,9-11H,1-3H3;/q2*-1;/i1D3,2D3;;.

What are the key properties of iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane?

iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 817.58 g/mol, XLogP of 9.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 171730776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).