6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

C50H37FIrN4OSi-2 — CID 156671114

About 6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 156671114) has the molecular formula C50H37FIrN4OSi-2 and a molecular weight of 949.17 g/mol. Its IUPAC name is 6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

• Compound Name: 6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
• PubChem CID: 156671114
• Molecular Formula: C50H37FIrN4OSi-2
• Molecular Weight: 949.17 g/mol
• Exact Mass: 949.24
• IUPAC Name: 6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
• SMILES: C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Fc1cccc2nc(-c3[c-]ccc4c3oc3ccncc34)n(-c3cc(-c4ccccc4)ccc3-c3ccccc3)c12.[Ir]
• InChI: InChI=1S/C36H21FN3O.C14H16NSi.Ir/c37-30-15-8-16-31-34(30)40(36(39-31)28-14-7-13-27-29-22-38-20-19-33(29)41-35(27)28)32-21-25(23-9-3-1-4-10-23)17-18-26(32)24-11-5-2-6-12-24;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h1-13,15-22H;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: KSDHDYLVXWGBCR-UHFFFAOYSA-N
• XLogP: 12.35
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	949.17
LogP ≤ 5	12.35
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 6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The IUPAC name of 6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 156671114) is 6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.

What is the SMILES notation for 6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The canonical SMILES for 6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Fc1cccc2nc(-c3[c-]ccc4c3oc3ccncc34)n(-c3cc(-c4ccccc4)ccc3-c3ccccc3)c12.[Ir].

What is the InChIKey of 6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The InChIKey is KSDHDYLVXWGBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21FN3O.C14H16NSi.Ir/c37-30-15-8-16-31-34(30)40(36(39-31)28-14-7-13-27-29-22-38-20-19-33(29)41-35(27)28)32-21-25(23-9-3-1-4-10-23)17-18-26(32)24-11-5-2-6-12-24;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h1-13,15-22H;4-7,9-11H,1-3H3;/q2*-1;.

What are the key properties of 6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 949.17 g/mol, XLogP of 12.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 156671114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).