4,6-dimethyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

C44H36IrN4OSi-2 — CID 164824755

About 4,6-dimethyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

4,6-dimethyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 164824755) has the molecular formula C44H36IrN4OSi-2 and a molecular weight of 857.10 g/mol. Its IUPAC name is 4,6-dimethyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

• Compound Name: 4,6-dimethyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
• PubChem CID: 164824755
• Molecular Formula: C44H36IrN4OSi-2
• Molecular Weight: 857.10 g/mol
• Exact Mass: 857.23
• IUPAC Name: 4,6-dimethyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
• SMILES: C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cc2nc(-c3[c-]ccc4c3oc3c5ccccc5ccc43)n(-c3ccccc3)c2c(C)n1.[Ir]
• InChI: InChI=1S/C30H20N3O.C14H16NSi.Ir/c1-18-17-26-27(19(2)31-18)33(21-10-4-3-5-11-21)30(32-26)25-14-8-13-23-24-16-15-20-9-6-7-12-22(20)28(24)34-29(23)25;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h3-13,15-17H,1-2H3;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: KAJKGZQTYAONLK-UHFFFAOYSA-N
• XLogP: 10.65
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	857.10
LogP ≤ 5	10.65
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 4,6-dimethyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The IUPAC name of 4,6-dimethyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 164824755) is 4,6-dimethyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.

What is the SMILES notation for 4,6-dimethyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The canonical SMILES for 4,6-dimethyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cc2nc(-c3[c-]ccc4c3oc3c5ccccc5ccc43)n(-c3ccccc3)c2c(C)n1.[Ir].

What is the InChIKey of 4,6-dimethyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The InChIKey is KAJKGZQTYAONLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N3O.C14H16NSi.Ir/c1-18-17-26-27(19(2)31-18)33(21-10-4-3-5-11-21)30(32-26)25-14-8-13-23-24-16-15-20-9-6-7-12-22(20)28(24)34-29(23)25;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h3-13,15-17H,1-2H3;4-7,9-11H,1-3H3;/q2*-1;.

What are the key properties of 4,6-dimethyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

4,6-dimethyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 857.10 g/mol, XLogP of 10.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-dimethyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-3-phenylimidazo[4,5-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 164824755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).