1-(2-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane

C48H49IrN3OSi-2 — CID 156658590

About 1-(2-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane

1-(2-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane (PubChem CID 156658590) has the molecular formula C48H49IrN3OSi-2 and a molecular weight of 904.24 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane.

Molecular Properties

• Compound Name: 1-(2-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
• PubChem CID: 156658590
• Molecular Formula: C48H49IrN3OSi-2
• Molecular Weight: 904.24 g/mol
• Exact Mass: 904.33
• IUPAC Name: 1-(2-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
• SMILES: CC(C)(C)c1ccccc1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.Cc1cc[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)c1.[Ir]
• InChI: InChI=1S/C29H23N2O.C19H26NSi.Ir/c1-29(2,3)22-14-5-7-16-24(22)31-25-17-8-6-15-23(25)30-28(31)21-13-10-12-20-19-11-4-9-18-26(19)32-27(20)21;1-14(2)10-17-12-18(16-9-7-8-15(3)11-16)20-13-19(17)21(4,5)6;/h4-12,14-18H,1-3H3;7-8,11-14H,10H2,1-6H3;/q2*-1
• InChIKey: SYSWTFJUESIONE-UHFFFAOYSA-N
• XLogP: 12.29
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	904.24
LogP ≤ 5	12.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 1-(2-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane?

The IUPAC name of 1-(2-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane (CID 156658590) is 1-(2-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane.

What is the SMILES notation for 1-(2-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane?

The canonical SMILES for 1-(2-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane is CC(C)(C)c1ccccc1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.Cc1cc[c-]c(-c2cc(CC(C)C)c([Si](C)(C)C)cn2)c1.[Ir].

What is the InChIKey of 1-(2-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane?

The InChIKey is SYSWTFJUESIONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N2O.C19H26NSi.Ir/c1-29(2,3)22-14-5-7-16-24(22)31-25-17-8-6-15-23(25)30-28(31)21-13-10-12-20-19-11-4-9-18-26(19)32-27(20)21;1-14(2)10-17-12-18(16-9-7-8-15(3)11-16)20-13-19(17)21(4,5)6;/h4-12,14-18H,1-3H3;7-8,11-14H,10H2,1-6H3;/q2*-1;.

What are the key properties of 1-(2-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane?

1-(2-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane has a molecular weight of 904.24 g/mol, XLogP of 12.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane is sourced from PubChem (CID 156658590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).