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

C52H48F2IrN4OSi-2 — CID 170531951

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

2-(2,4-difluorobenzene-6-id-1-yl)-1-[4-(2-methylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]silane (PubChem CID 170531951) has the molecular formula C52H48F2IrN4OSi-2 and a molecular weight of 1003.28 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-1-[4-(2-methylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]silane.

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)-1-[4-(2-methylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]silane
• PubChem CID: 170531951
• Molecular Formula: C52H48F2IrN4OSi-2
• Molecular Weight: 1003.28 g/mol
• Exact Mass: 1003.32
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-1-[4-(2-methylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]silane
• SMILES: Cc1ccc2c(n1)oc1c[c-]c(-c3ccc([Si](C)(C)C)cn3)cc12.Cc1ccccc1-c1cc(C(C)C)c(-n2c(-c3[c-]cc(F)cc3F)nc3ccccc32)c(C(C)C)c1.[Ir]
• InChI: InChI=1S/C32H29F2N2.C20H19N2OSi.Ir/c1-19(2)26-16-22(24-11-7-6-10-21(24)5)17-27(20(3)4)31(26)36-30-13-9-8-12-29(30)35-32(36)25-15-14-23(33)18-28(25)34;1-13-5-8-16-17-11-14(6-10-19(17)23-20(16)22-13)18-9-7-15(12-21-18)24(2,3)4;/h6-14,16-20H,1-5H3;5,7-12H,1-4H3;/q2*-1
• InChIKey: VISITCIMZYHRAR-UHFFFAOYSA-N
• XLogP: 13.69
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1003.28
LogP ≤ 5	13.69
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-(2,4-difluorobenzene-6-id-1-yl)-1-[4-(2-methylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]silane?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-1-[4-(2-methylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]silane (CID 170531951) is 2-(2,4-difluorobenzene-6-id-1-yl)-1-[4-(2-methylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]silane.

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

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-1-[4-(2-methylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]silane is Cc1ccc2c(n1)oc1c[c-]c(-c3ccc([Si](C)(C)C)cn3)cc12.Cc1ccccc1-c1cc(C(C)C)c(-n2c(-c3[c-]cc(F)cc3F)nc3ccccc32)c(C(C)C)c1.[Ir].

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

The InChIKey is VISITCIMZYHRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29F2N2.C20H19N2OSi.Ir/c1-19(2)26-16-22(24-11-7-6-10-21(24)5)17-27(20(3)4)31(26)36-30-13-9-8-12-29(30)35-32(36)25-15-14-23(33)18-28(25)34;1-13-5-8-16-17-11-14(6-10-19(17)23-20(16)22-13)18-9-7-15(12-21-18)24(2,3)4;/h6-14,16-20H,1-5H3;5,7-12H,1-4H3;/q2*-1;.

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

2-(2,4-difluorobenzene-6-id-1-yl)-1-[4-(2-methylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]silane has a molecular weight of 1003.28 g/mol, XLogP of 13.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)-1-[4-(2-methylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[6-(2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-id-6-yl)-3-pyridinyl]silane is sourced from PubChem (CID 170531951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).