4-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-10-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

C59H49FIrN4OSi-2 — CID 156670260

About 4-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-10-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane

4-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-10-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 156670260) has the molecular formula C59H49FIrN4OSi-2 and a molecular weight of 1069.37 g/mol. Its IUPAC name is 4-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-10-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

Molecular Properties

• Compound Name: 4-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-10-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• PubChem CID: 156670260
• Molecular Formula: C59H49FIrN4OSi-2
• Molecular Weight: 1069.37 g/mol
• Exact Mass: 1069.33
• IUPAC Name: 4-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-10-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Fc1cccc2nc3oc4c(-c5nc6ccccc6n5Cc5c(-c6ccccc6)cccc5-c5ccccc5)[c-]ccc4c3cc12.[Ir]
• InChI: InChI=1S/C41H25FN3O.C18H24NSi.Ir/c42-35-20-11-22-36-33(35)24-32-30-18-10-19-31(39(30)46-41(32)44-36)40-43-37-21-7-8-23-38(37)45(40)25-34-28(26-12-3-1-4-13-26)16-9-17-29(34)27-14-5-2-6-15-27;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h1-18,20-24H,25H2;6-9,12-14H,11H2,1-5H3;/q2*-1
• InChIKey: MJNIYHGVNXIKGI-UHFFFAOYSA-N
• XLogP: 14.76
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1069.37
LogP ≤ 5	14.76
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 4-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-10-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The IUPAC name of 4-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-10-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane (CID 156670260) is 4-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-10-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane.

What is the SMILES notation for 4-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-10-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The canonical SMILES for 4-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-10-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.Fc1cccc2nc3oc4c(-c5nc6ccccc6n5Cc5c(-c6ccccc6)cccc5-c5ccccc5)[c-]ccc4c3cc12.[Ir].

What is the InChIKey of 4-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-10-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

The InChIKey is MJNIYHGVNXIKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25FN3O.C18H24NSi.Ir/c42-35-20-11-22-36-33(35)24-32-30-18-10-19-31(39(30)46-41(32)44-36)40-43-37-21-7-8-23-38(37)45(40)25-34-28(26-12-3-1-4-13-26)16-9-17-29(34)27-14-5-2-6-15-27;1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;/h1-18,20-24H,25H2;6-9,12-14H,11H2,1-5H3;/q2*-1;.

What are the key properties of 4-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-10-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane?

4-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-10-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane has a molecular weight of 1069.37 g/mol, XLogP of 14.76, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[(2,6-diphenylphenyl)methyl]benzimidazol-2-yl]-10-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane is sourced from PubChem (CID 156670260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).