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

C51H39FIrN4OSi-2 — CID 156668805

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

6-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-3-fluoro-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 156668805) has the molecular formula C51H39FIrN4OSi-2 and a molecular weight of 963.20 g/mol. Its IUPAC name is 6-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-3-fluoro-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

• Compound Name: 6-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-3-fluoro-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
• PubChem CID: 156668805
• Molecular Formula: C51H39FIrN4OSi-2
• Molecular Weight: 963.20 g/mol
• Exact Mass: 963.25
• IUPAC Name: 6-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-3-fluoro-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.Fc1cc2oc3c(-c4nc5ccccc5n4Cc4c(-c5ccccc5)cccc4-c4ccccc4)[c-]ccc3c2cn1.[Ir]
• InChI: InChI=1S/C37H23FN3O.C14H16NSi.Ir/c38-35-21-34-30(22-39-35)28-17-10-18-29(36(28)42-34)37-40-32-19-7-8-20-33(32)41(37)23-31-26(24-11-3-1-4-12-24)15-9-16-27(31)25-13-5-2-6-14-25;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h1-17,19-22H,23H2;4-7,9-11H,1-3H3;/q2*-1
• InChIKey: VNBGVEKQQQONDY-UHFFFAOYSA-N
• XLogP: 12.41
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	963.20
LogP ≤ 5	12.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-3-fluoro-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane?

The IUPAC name of 6-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-3-fluoro-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 156668805) is 6-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-3-fluoro-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane.

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

The canonical SMILES for 6-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-3-fluoro-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.Fc1cc2oc3c(-c4nc5ccccc5n4Cc4c(-c5ccccc5)cccc4-c4ccccc4)[c-]ccc3c2cn1.[Ir].

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

The InChIKey is VNBGVEKQQQONDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23FN3O.C14H16NSi.Ir/c38-35-21-34-30(22-39-35)28-17-10-18-29(36(28)42-34)37-40-32-19-7-8-20-33(32)41(37)23-31-26(24-11-3-1-4-12-24)15-9-16-27(31)25-13-5-2-6-14-25;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;/h1-17,19-22H,23H2;4-7,9-11H,1-3H3;/q2*-1;.

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

6-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-3-fluoro-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 963.20 g/mol, XLogP of 12.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-3-fluoro-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 156668805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).