2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]silane

C55H55FIrN4OSi-2 — CID 170531687

About 2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]silane

2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]silane (PubChem CID 170531687) has the molecular formula C55H55FIrN4OSi-2 and a molecular weight of 1027.37 g/mol. Its IUPAC name is 2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]silane.

Molecular Properties

• Compound Name: 2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
• PubChem CID: 170531687
• Molecular Formula: C55H55FIrN4OSi-2
• Molecular Weight: 1027.37 g/mol
• Exact Mass: 1027.38
• IUPAC Name: 2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
• SMILES: CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]cc(F)cc2)nc2ccccc21.Cc1ccc2c(n1)oc1c(-c3cc(CC(C)C)c([Si](C)(C)C)cn3)[c-]ccc12.[Ir]
• InChI: InChI=1S/C31H28FN2.C24H27N2OSi.Ir/c1-20(2)26-18-24(22-10-6-5-7-11-22)19-27(21(3)4)30(26)34-29-13-9-8-12-28(29)33-31(34)23-14-16-25(32)17-15-23;1-15(2)12-17-13-21(25-14-22(17)28(4,5)6)20-9-7-8-18-19-11-10-16(3)26-24(19)27-23(18)20;/h5-14,16-21H,1-4H3;7-8,10-11,13-15H,12H2,1-6H3;/q2*-1
• InChIKey: RZVLPDRQNJGUTP-UHFFFAOYSA-N
• XLogP: 14.44
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1027.37
LogP ≤ 5	14.44
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 2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]silane?

The IUPAC name of 2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]silane (CID 170531687) is 2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]silane.

What is the SMILES notation for 2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]silane?

The canonical SMILES for 2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]silane is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]cc(F)cc2)nc2ccccc21.Cc1ccc2c(n1)oc1c(-c3cc(CC(C)C)c([Si](C)(C)C)cn3)[c-]ccc12.[Ir].

What is the InChIKey of 2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]silane?

The InChIKey is RZVLPDRQNJGUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28FN2.C24H27N2OSi.Ir/c1-20(2)26-18-24(22-10-6-5-7-11-22)19-27(21(3)4)30(26)34-29-13-9-8-12-28(29)33-31(34)23-14-16-25(32)17-15-23;1-15(2)12-17-13-21(25-14-22(17)28(4,5)6)20-9-7-8-18-19-11-10-16(3)26-24(19)27-23(18)20;/h5-14,16-21H,1-4H3;7-8,10-11,13-15H,12H2,1-6H3;/q2*-1;.

What are the key properties of 2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]silane?

2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]silane has a molecular weight of 1027.37 g/mol, XLogP of 14.44, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorobenzene-6-id-1-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-8-yl)-4-(2-methylpropyl)-3-pyridinyl]silane is sourced from PubChem (CID 170531687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).