iridium;4-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]germane

C39H34GeIrN2O-2 — CID 166577258

About iridium;4-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]germane

iridium;4-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]germane (PubChem CID 166577258) has the molecular formula C39H34GeIrN2O-2 and a molecular weight of 811.54 g/mol. Its IUPAC name is iridium;4-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]germane.

Molecular Properties

• Compound Name: iridium;4-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]germane
• PubChem CID: 166577258
• Molecular Formula: C39H34GeIrN2O-2
• Molecular Weight: 811.54 g/mol
• Exact Mass: 813.15
• IUPAC Name: iridium;4-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]germane
• SMILES: Cc1cc[c-]c(-c2ccc([Ge](C)(C)C)cn2)c1.Cc1ccnc(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)c1.[Ir]
• InChI: InChI=1S/C24H16NO.C15H18GeN.Ir/c1-16-12-13-25-22(14-16)21-9-5-8-20-19-11-10-18(15-23(19)26-24(20)21)17-6-3-2-4-7-17;1-12-6-5-7-13(10-12)15-9-8-14(11-17-15)16(2,3)4;/h2-8,10-15H,1H3;5-6,8-11H,1-4H3;/q2*-1
• InChIKey: GJUUDMDOMPOZCZ-UHFFFAOYSA-N
• XLogP: 9.82
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	811.54
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;4-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]germane?

The IUPAC name of iridium;4-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]germane (CID 166577258) is iridium;4-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]germane.

What is the SMILES notation for iridium;4-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]germane?

The canonical SMILES for iridium;4-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]germane is Cc1cc[c-]c(-c2ccc([Ge](C)(C)C)cn2)c1.Cc1ccnc(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)c1.[Ir].

What is the InChIKey of iridium;4-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]germane?

The InChIKey is GJUUDMDOMPOZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16NO.C15H18GeN.Ir/c1-16-12-13-25-22(14-16)21-9-5-8-20-19-11-10-18(15-23(19)26-24(20)21)17-6-3-2-4-7-17;1-12-6-5-7-13(10-12)15-9-8-14(11-17-15)16(2,3)4;/h2-8,10-15H,1H3;5-6,8-11H,1-4H3;/q2*-1;.

What are the key properties of iridium;4-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]germane?

iridium;4-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]germane has a molecular weight of 811.54 g/mol, XLogP of 9.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;4-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]germane is sourced from PubChem (CID 166577258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).