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

C39H34GeIrN2O-2 — CID 166576951

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

iridium;2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane (PubChem CID 166576951) has the molecular formula C39H34GeIrN2O-2 and a molecular weight of 811.54 g/mol. Its IUPAC name is iridium;2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane.

Molecular Properties

• Compound Name: iridium;2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane
• PubChem CID: 166576951
• Molecular Formula: C39H34GeIrN2O-2
• Molecular Weight: 811.54 g/mol
• Exact Mass: 813.15
• IUPAC Name: iridium;2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane
• SMILES: Cc1c[c-]c(-c2cc(C)c([Ge](C)(C)C)cn2)cc1.[Ir].[c-]1cc2oc3cc(-c4ccccc4)ccc3c2cc1-c1ccccn1
• InChI: InChI=1S/C23H14NO.C16H20GeN.Ir/c1-2-6-16(7-3-1)17-9-11-19-20-14-18(21-8-4-5-13-24-21)10-12-22(20)25-23(19)15-17;1-12-6-8-14(9-7-12)16-10-13(2)15(11-18-16)17(3,4)5;/h1-9,11-15H;6-8,10-11H,1-5H3;/q2*-1
• InChIKey: CJXXZGYPJXBJKP-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;2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane?

The IUPAC name of iridium;2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane (CID 166576951) is iridium;2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane.

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

The canonical SMILES for iridium;2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane is Cc1c[c-]c(-c2cc(C)c([Ge](C)(C)C)cn2)cc1.[Ir].[c-]1cc2oc3cc(-c4ccccc4)ccc3c2cc1-c1ccccn1.

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

The InChIKey is CJXXZGYPJXBJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14NO.C16H20GeN.Ir/c1-2-6-16(7-3-1)17-9-11-19-20-14-18(21-8-4-5-13-24-21)10-12-22(20)25-23(19)15-17;1-12-6-8-14(9-7-12)16-10-13(2)15(11-18-16)17(3,4)5;/h1-9,11-15H;6-8,10-11H,1-5H3;/q2*-1;.

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

iridium;2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-[4-methyl-6-(4-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;2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]germane is sourced from PubChem (CID 166576951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).