2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[6-(2-methyl-3,6-dihydro-2H-1,3-benzoxazol-6-id-7-yl)-4-(2-methylpropyl)-3-pyridinyl]silane

C51H46IrN4O2Si-2 — CID 167355244

About 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[6-(2-methyl-3,6-dihydro-2H-1,3-benzoxazol-6-id-7-yl)-4-(2-methylpropyl)-3-pyridinyl]silane

2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[6-(2-methyl-3,6-dihydro-2H-1,3-benzoxazol-6-id-7-yl)-4-(2-methylpropyl)-3-pyridinyl]silane (PubChem CID 167355244) has the molecular formula C51H46IrN4O2Si-2 and a molecular weight of 967.26 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[6-(2-methyl-3,6-dihydro-2H-1,3-benzoxazol-6-id-7-yl)-4-(2-methylpropyl)-3-pyridinyl]silane.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[6-(2-methyl-3,6-dihydro-2H-1,3-benzoxazol-6-id-7-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
• PubChem CID: 167355244
• Molecular Formula: C51H46IrN4O2Si-2
• Molecular Weight: 967.26 g/mol
• Exact Mass: 967.30
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[6-(2-methyl-3,6-dihydro-2H-1,3-benzoxazol-6-id-7-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
• SMILES: CC(C)Cc1cc(-c2[c-]ccc3c2OC(C)N3)ncc1[Si](C)(C)C.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C31H19N2O.C20H27N2OSi.Ir/c1-2-9-21(10-3-1)22-17-19-23(20-18-22)33-28-15-6-5-14-27(28)32-31(33)26-13-8-12-25-24-11-4-7-16-29(24)34-30(25)26;1-13(2)10-15-11-18(21-12-19(15)24(4,5)6)16-8-7-9-17-20(16)23-14(3)22-17;/h1-12,14-20H;7,9,11-14,22H,10H2,1-6H3;/q2*-1
• InChIKey: KMGZPTBJVLXRKN-UHFFFAOYSA-N
• XLogP: 12.50
• TPSA: 65.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	967.26
LogP ≤ 5	12.50
H-Bond Donors ≤ 5	1
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 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[6-(2-methyl-3,6-dihydro-2H-1,3-benzoxazol-6-id-7-yl)-4-(2-methylpropyl)-3-pyridinyl]silane?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[6-(2-methyl-3,6-dihydro-2H-1,3-benzoxazol-6-id-7-yl)-4-(2-methylpropyl)-3-pyridinyl]silane (CID 167355244) is 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[6-(2-methyl-3,6-dihydro-2H-1,3-benzoxazol-6-id-7-yl)-4-(2-methylpropyl)-3-pyridinyl]silane.

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[6-(2-methyl-3,6-dihydro-2H-1,3-benzoxazol-6-id-7-yl)-4-(2-methylpropyl)-3-pyridinyl]silane?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[6-(2-methyl-3,6-dihydro-2H-1,3-benzoxazol-6-id-7-yl)-4-(2-methylpropyl)-3-pyridinyl]silane is CC(C)Cc1cc(-c2[c-]ccc3c2OC(C)N3)ncc1[Si](C)(C)C.[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccc(-c2ccccc2)cc1.

What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[6-(2-methyl-3,6-dihydro-2H-1,3-benzoxazol-6-id-7-yl)-4-(2-methylpropyl)-3-pyridinyl]silane?

The InChIKey is KMGZPTBJVLXRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N2O.C20H27N2OSi.Ir/c1-2-9-21(10-3-1)22-17-19-23(20-18-22)33-28-15-6-5-14-27(28)32-31(33)26-13-8-12-25-24-11-4-7-16-29(24)34-30(25)26;1-13(2)10-15-11-18(21-12-19(15)24(4,5)6)16-8-7-9-17-20(16)23-14(3)22-17;/h1-12,14-20H;7,9,11-14,22H,10H2,1-6H3;/q2*-1;.

What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[6-(2-methyl-3,6-dihydro-2H-1,3-benzoxazol-6-id-7-yl)-4-(2-methylpropyl)-3-pyridinyl]silane?

2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[6-(2-methyl-3,6-dihydro-2H-1,3-benzoxazol-6-id-7-yl)-4-(2-methylpropyl)-3-pyridinyl]silane has a molecular weight of 967.26 g/mol, XLogP of 12.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;iridium;trimethyl-[6-(2-methyl-3,6-dihydro-2H-1,3-benzoxazol-6-id-7-yl)-4-(2-methylpropyl)-3-pyridinyl]silane is sourced from PubChem (CID 167355244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).