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

C43H34IrN4OSi-2 — CID 164826382

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

iridium;6-methyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-phenylimidazo[4,5-c]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 164826382) has the molecular formula C43H34IrN4OSi-2 and a molecular weight of 843.08 g/mol. Its IUPAC name is iridium;6-methyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-phenylimidazo[4,5-c]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

• Compound Name: iridium;6-methyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-phenylimidazo[4,5-c]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
• PubChem CID: 164826382
• Molecular Formula: C43H34IrN4OSi-2
• Molecular Weight: 843.08 g/mol
• Exact Mass: 843.21
• IUPAC Name: iridium;6-methyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-phenylimidazo[4,5-c]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
• SMILES: C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cc2c(cn1)nc(-c1[c-]ccc3c1oc1c4ccccc4ccc31)n2-c1ccccc1.[Ir]
• InChI: InChI=1S/C29H18N3O.C14H16NSi.Ir/c1-18-16-26-25(17-30-18)31-29(32(26)20-9-3-2-4-10-20)24-13-7-12-22-23-15-14-19-8-5-6-11-21(19)27(23)33-28(22)24;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h2-12,14-17H,1H3;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: KVOAFAXPKKHYFD-UHFFFAOYSA-N
• XLogP: 10.34
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	843.08
LogP ≤ 5	10.34
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;6-methyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-phenylimidazo[4,5-c]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane?

The IUPAC name of iridium;6-methyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-phenylimidazo[4,5-c]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 164826382) is iridium;6-methyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-phenylimidazo[4,5-c]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane.

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

The canonical SMILES for iridium;6-methyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-phenylimidazo[4,5-c]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane is C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cc2c(cn1)nc(-c1[c-]ccc3c1oc1c4ccccc4ccc31)n2-c1ccccc1.[Ir].

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

The InChIKey is KVOAFAXPKKHYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18N3O.C14H16NSi.Ir/c1-18-16-26-25(17-30-18)31-29(32(26)20-9-3-2-4-10-20)24-13-7-12-22-23-15-14-19-8-5-6-11-21(19)27(23)33-28(22)24;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h2-12,14-17H,1H3;4-7,9-11H,1-3H3;/q2*-1;.

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

iridium;6-methyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-phenylimidazo[4,5-c]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 843.08 g/mol, XLogP of 10.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;6-methyl-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-1-phenylimidazo[4,5-c]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 164826382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).