[4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium

C52H50FIrN5OSi-2 — CID 156669563

About [4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium

[4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium (PubChem CID 156669563) has the molecular formula C52H50FIrN5OSi-2 and a molecular weight of 1000.31 g/mol. Its IUPAC name is [4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium.

Molecular Properties

• Compound Name: [4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium
• PubChem CID: 156669563
• Molecular Formula: C52H50FIrN5OSi-2
• Molecular Weight: 1000.31 g/mol
• Exact Mass: 1000.34
• IUPAC Name: [4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium
• SMILES: Cc1cc2nc(-c3[c-]nc4oc5cc(F)ccc5c4c3)n(-c3c(C(C)C)cccc3C(C)C)c2cn1.Cc1cccc(C)c1-c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir]
• InChI: InChI=1S/C30H26FN4O.C22H24NSi.Ir/c1-16(2)21-7-6-8-22(17(3)4)28(21)35-26-15-32-18(5)11-25(26)34-29(35)19-12-24-23-10-9-20(31)13-27(23)36-30(24)33-14-19;1-16-10-9-11-17(2)22(16)19-14-20(18-12-7-6-8-13-18)23-15-21(19)24(3,4)5;/h6-13,15-17H,1-5H3;6-12,14-15H,1-5H3;/q2*-1
• InChIKey: BCKYCLYUSBVASM-UHFFFAOYSA-N
• XLogP: 13.25
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1000.31
LogP ≤ 5	13.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 [4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium?

The IUPAC name of [4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium (CID 156669563) is [4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium.

What is the SMILES notation for [4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium?

The canonical SMILES for [4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium is Cc1cc2nc(-c3[c-]nc4oc5cc(F)ccc5c4c3)n(-c3c(C(C)C)cccc3C(C)C)c2cn1.Cc1cccc(C)c1-c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[Ir].

What is the InChIKey of [4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium?

The InChIKey is BCKYCLYUSBVASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN4O.C22H24NSi.Ir/c1-16(2)21-7-6-8-22(17(3)4)28(21)35-26-15-32-18(5)11-25(26)34-29(35)19-12-24-23-10-9-20(31)13-27(23)36-30(24)33-14-19;1-16-10-9-11-17(2)22(16)19-14-20(18-12-7-6-8-13-18)23-15-21(19)24(3,4)5;/h6-13,15-17H,1-5H3;6-12,14-15H,1-5H3;/q2*-1;.

What are the key properties of [4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium?

[4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium has a molecular weight of 1000.31 g/mol, XLogP of 13.25, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2,6-dimethylphenyl)-6-phenyl-3-pyridinyl]-trimethylsilane;3-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-[1]benzofuro[2,3-b]pyridin-2-ide;iridium is sourced from PubChem (CID 156669563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).