6-[1-(2,4-diphenylphenyl)benzimidazol-2-yl]-3-fluoro-9-phenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

C56H41FIrN4OSi-2 — CID 176644330

About 6-[1-(2,4-diphenylphenyl)benzimidazol-2-yl]-3-fluoro-9-phenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane

6-[1-(2,4-diphenylphenyl)benzimidazol-2-yl]-3-fluoro-9-phenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 176644330) has the molecular formula C56H41FIrN4OSi-2 and a molecular weight of 1025.27 g/mol. Its IUPAC name is 6-[1-(2,4-diphenylphenyl)benzimidazol-2-yl]-3-fluoro-9-phenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

• Compound Name: 6-[1-(2,4-diphenylphenyl)benzimidazol-2-yl]-3-fluoro-9-phenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
• PubChem CID: 176644330
• Molecular Formula: C56H41FIrN4OSi-2
• Molecular Weight: 1025.27 g/mol
• Exact Mass: 1025.27
• IUPAC Name: 6-[1-(2,4-diphenylphenyl)benzimidazol-2-yl]-3-fluoro-9-phenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
• SMILES: C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Fc1cnc2c(c1)oc1c(-c3nc4ccccc4n3-c3ccc(-c4ccccc4)cc3-c3ccccc3)[c-]cc(-c3ccccc3)c12.[Ir]
• InChI: InChI=1S/C42H25FN3O.C14H16NSi.Ir/c43-31-25-38-40(44-26-31)39-32(28-14-6-2-7-15-28)21-22-33(41(39)47-38)42-45-35-18-10-11-19-37(35)46(42)36-23-20-30(27-12-4-1-5-13-27)24-34(36)29-16-8-3-9-17-29;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h1-21,23-26H;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: HSJDFFZVKHIPON-UHFFFAOYSA-N
• XLogP: 14.02
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1025.27
LogP ≤ 5	14.02
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-(2,4-diphenylphenyl)benzimidazol-2-yl]-3-fluoro-9-phenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The IUPAC name of 6-[1-(2,4-diphenylphenyl)benzimidazol-2-yl]-3-fluoro-9-phenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 176644330) is 6-[1-(2,4-diphenylphenyl)benzimidazol-2-yl]-3-fluoro-9-phenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.

What is the SMILES notation for 6-[1-(2,4-diphenylphenyl)benzimidazol-2-yl]-3-fluoro-9-phenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The canonical SMILES for 6-[1-(2,4-diphenylphenyl)benzimidazol-2-yl]-3-fluoro-9-phenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is C[Si](C)(C)c1ccc(-c2[c-]cccc2)nc1.Fc1cnc2c(c1)oc1c(-c3nc4ccccc4n3-c3ccc(-c4ccccc4)cc3-c3ccccc3)[c-]cc(-c3ccccc3)c12.[Ir].

What is the InChIKey of 6-[1-(2,4-diphenylphenyl)benzimidazol-2-yl]-3-fluoro-9-phenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The InChIKey is HSJDFFZVKHIPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25FN3O.C14H16NSi.Ir/c43-31-25-38-40(44-26-31)39-32(28-14-6-2-7-15-28)21-22-33(41(39)47-38)42-45-35-18-10-11-19-37(35)46(42)36-23-20-30(27-12-4-1-5-13-27)24-34(36)29-16-8-3-9-17-29;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h1-21,23-26H;4-7,9-11H,1-3H3;/q2*-1;.

What are the key properties of 6-[1-(2,4-diphenylphenyl)benzimidazol-2-yl]-3-fluoro-9-phenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

6-[1-(2,4-diphenylphenyl)benzimidazol-2-yl]-3-fluoro-9-phenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 1025.27 g/mol, XLogP of 14.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(2,4-diphenylphenyl)benzimidazol-2-yl]-3-fluoro-9-phenyl-7H-[1]benzofuro[3,2-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 176644330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).