8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

C52H42IrN4OSi-2 — CID 156670468

About 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 156670468) has the molecular formula C52H42IrN4OSi-2 and a molecular weight of 959.24 g/mol. Its IUPAC name is 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

• Compound Name: 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
• PubChem CID: 156670468
• Molecular Formula: C52H42IrN4OSi-2
• Molecular Weight: 959.24 g/mol
• Exact Mass: 959.28
• IUPAC Name: 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
• SMILES: C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cc(-c2ccccc2)cc(C)c1-n1c(-c2[c-]ccc3c2oc2nc(-c4ccccc4)ccc23)nc2ccccc21.[Ir]
• InChI: InChI=1S/C38H26N3O.C14H16NSi.Ir/c1-24-22-28(26-12-5-3-6-13-26)23-25(2)35(24)41-34-19-10-9-18-33(34)39-37(41)31-17-11-16-29-30-20-21-32(27-14-7-4-8-15-27)40-38(30)42-36(29)31;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h3-16,18-23H,1-2H3;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: BYNNFHMRUHUHHQ-UHFFFAOYSA-N
• XLogP: 12.83
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	959.24
LogP ≤ 5	12.83
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 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The IUPAC name of 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 156670468) is 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.

What is the SMILES notation for 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The canonical SMILES for 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1cc(-c2ccccc2)cc(C)c1-n1c(-c2[c-]ccc3c2oc2nc(-c4ccccc4)ccc23)nc2ccccc21.[Ir].

What is the InChIKey of 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The InChIKey is BYNNFHMRUHUHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N3O.C14H16NSi.Ir/c1-24-22-28(26-12-5-3-6-13-26)23-25(2)35(24)41-34-19-10-9-18-33(34)39-37(41)31-17-11-16-29-30-20-21-32(27-14-7-4-8-15-27)40-38(30)42-36(29)31;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h3-16,18-23H,1-2H3;4-7,9-11H,1-3H3;/q2*-1;.

What are the key properties of 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 959.24 g/mol, XLogP of 12.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 156670468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).