iridium;3-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane

C34H30IrN4OSi-2 — CID 156657863

About iridium;3-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane

iridium;3-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 156657863) has the molecular formula C34H30IrN4OSi-2 and a molecular weight of 730.94 g/mol. Its IUPAC name is iridium;3-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

• Compound Name: iridium;3-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
• PubChem CID: 156657863
• Molecular Formula: C34H30IrN4OSi-2
• Molecular Weight: 730.94 g/mol
• Exact Mass: 731.18
• IUPAC Name: iridium;3-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
• SMILES: C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1c[c-]c(-c2nc3ccncc3n2C)c2oc3ccccc3c12.[Ir]
• InChI: InChI=1S/C20H14N3O.C14H16NSi.Ir/c1-12-7-8-14(19-18(12)13-5-3-4-6-17(13)24-19)20-22-15-9-10-21-11-16(15)23(20)2;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h3-7,9-11H,1-2H3;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: YAQRPTFDMXKCDC-UHFFFAOYSA-N
• XLogP: 7.73
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.94
LogP ≤ 5	7.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of iridium;3-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane?

The IUPAC name of iridium;3-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 156657863) is iridium;3-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane.

What is the SMILES notation for iridium;3-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane?

The canonical SMILES for iridium;3-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane is C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1c[c-]c(-c2nc3ccncc3n2C)c2oc3ccccc3c12.[Ir].

What is the InChIKey of iridium;3-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane?

The InChIKey is YAQRPTFDMXKCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N3O.C14H16NSi.Ir/c1-12-7-8-14(19-18(12)13-5-3-4-6-17(13)24-19)20-22-15-9-10-21-11-16(15)23(20)2;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h3-7,9-11H,1-2H3;4-7,9-11H,1-3H3;/q2*-1;.

What are the key properties of iridium;3-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane?

iridium;3-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 730.94 g/mol, XLogP of 7.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;3-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 156657863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).