iridium;2-phenylpyridine;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-phenyl-3-pyridinyl]silane

C37H31IrN3OSi-2 — CID 162498244

About iridium;2-phenylpyridine;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-phenyl-3-pyridinyl]silane

iridium;2-phenylpyridine;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-phenyl-3-pyridinyl]silane (PubChem CID 162498244) has the molecular formula C37H31IrN3OSi-2 and a molecular weight of 753.98 g/mol. Its IUPAC name is iridium;2-phenylpyridine;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-phenyl-3-pyridinyl]silane.

Molecular Properties

• Compound Name: iridium;2-phenylpyridine;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-phenyl-3-pyridinyl]silane
• PubChem CID: 162498244
• Molecular Formula: C37H31IrN3OSi-2
• Molecular Weight: 753.98 g/mol
• Exact Mass: 754.19
• IUPAC Name: iridium;2-phenylpyridine;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-phenyl-3-pyridinyl]silane
• SMILES: Cc1ccc2c(n1)oc1c[c-]c(-c3cc(-c4ccccc4)c([Si](C)(C)C)cn3)cc12.[Ir].[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C26H23N2OSi.C11H8N.Ir/c1-17-10-12-20-22-14-19(11-13-24(22)29-26(20)28-17)23-15-21(18-8-6-5-7-9-18)25(16-27-23)30(2,3)4;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h5-10,12-16H,1-4H3;1-6,8-9H;/q2*-1
• InChIKey: VPRSTGZNSXDNHH-UHFFFAOYSA-N
• XLogP: 8.91
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	753.98
LogP ≤ 5	8.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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;2-phenylpyridine;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-phenyl-3-pyridinyl]silane?

The IUPAC name of iridium;2-phenylpyridine;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-phenyl-3-pyridinyl]silane (CID 162498244) is iridium;2-phenylpyridine;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-phenyl-3-pyridinyl]silane.

What is the SMILES notation for iridium;2-phenylpyridine;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-phenyl-3-pyridinyl]silane?

The canonical SMILES for iridium;2-phenylpyridine;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-phenyl-3-pyridinyl]silane is Cc1ccc2c(n1)oc1c[c-]c(-c3cc(-c4ccccc4)c([Si](C)(C)C)cn3)cc12.[Ir].[c-]1ccccc1-c1ccccn1.

What is the InChIKey of iridium;2-phenylpyridine;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-phenyl-3-pyridinyl]silane?

The InChIKey is VPRSTGZNSXDNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N2OSi.C11H8N.Ir/c1-17-10-12-20-22-14-19(11-13-24(22)29-26(20)28-17)23-15-21(18-8-6-5-7-9-18)25(16-27-23)30(2,3)4;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h5-10,12-16H,1-4H3;1-6,8-9H;/q2*-1;.

What are the key properties of iridium;2-phenylpyridine;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-phenyl-3-pyridinyl]silane?

iridium;2-phenylpyridine;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-phenyl-3-pyridinyl]silane has a molecular weight of 753.98 g/mol, XLogP of 8.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;2-phenylpyridine;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-4-phenyl-3-pyridinyl]silane is sourced from PubChem (CID 162498244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).