2-(1-cyclopentyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium

C66H65IrN3O2Si-2 — CID 156660029

About 2-(1-cyclopentyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium

2-(1-cyclopentyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 156660029) has the molecular formula C66H65IrN3O2Si-2 and a molecular weight of 1152.57 g/mol. Its IUPAC name is 2-(1-cyclopentyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 2-(1-cyclopentyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium
• PubChem CID: 156660029
• Molecular Formula: C66H65IrN3O2Si-2
• Molecular Weight: 1152.57 g/mol
• Exact Mass: 1152.45
• IUPAC Name: 2-(1-cyclopentyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium
• SMILES: CC(C)Cc1cc(-c2[c-]ccc3c2oc2ccccc23)ncc1[Si](C)(C)C.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]cc(C3CCCC3)c3c2oc2ccccc23)nc2ccccc21.[Ir]
• InChI: InChI=1S/C42H39N2O.C24H26NOSi.Ir/c1-26(2)34-24-30(28-14-6-5-7-15-28)25-35(27(3)4)40(34)44-37-20-12-11-19-36(37)43-42(44)33-23-22-31(29-16-8-9-17-29)39-32-18-10-13-21-38(32)45-41(33)39;1-16(2)13-17-14-21(25-15-23(17)27(3,4)5)20-11-8-10-19-18-9-6-7-12-22(18)26-24(19)20;/h5-7,10-15,18-22,24-27,29H,8-9,16-17H2,1-4H3;6-10,12,14-16H,13H2,1-5H3;/q2*-1
• InChIKey: VOZFMGVVYDKXQD-UHFFFAOYSA-N
• XLogP: 18.15
• TPSA: 56.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1152.57
LogP ≤ 5	18.15
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-(1-cyclopentyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?

The IUPAC name of 2-(1-cyclopentyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium (CID 156660029) is 2-(1-cyclopentyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium.

What is the SMILES notation for 2-(1-cyclopentyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?

The canonical SMILES for 2-(1-cyclopentyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium is CC(C)Cc1cc(-c2[c-]ccc3c2oc2ccccc23)ncc1[Si](C)(C)C.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]cc(C3CCCC3)c3c2oc2ccccc23)nc2ccccc21.[Ir].

What is the InChIKey of 2-(1-cyclopentyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?

The InChIKey is VOZFMGVVYDKXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H39N2O.C24H26NOSi.Ir/c1-26(2)34-24-30(28-14-6-5-7-15-28)25-35(27(3)4)40(34)44-37-20-12-11-19-36(37)43-42(44)33-23-22-31(29-16-8-9-17-29)39-32-18-10-13-21-38(32)45-41(33)39;1-16(2)13-17-14-21(25-15-23(17)27(3,4)5)20-11-8-10-19-18-9-6-7-12-22(18)26-24(19)20;/h5-7,10-15,18-22,24-27,29H,8-9,16-17H2,1-4H3;6-10,12,14-16H,13H2,1-5H3;/q2*-1;.

What are the key properties of 2-(1-cyclopentyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium?

2-(1-cyclopentyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 1152.57 g/mol, XLogP of 18.15, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-cyclopentyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 156660029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).