2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;[dideuterio-[4-(2-phenyl-3H-benzimidazol-4-yl)-3,5-di(propan-2-yl)phenyl]methyl]-trimethylsilane;iridium

C72H70IrN4OSi-2 — CID 168730756

About 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;[dideuterio-[4-(2-phenyl-3H-benzimidazol-4-yl)-3,5-di(propan-2-yl)phenyl]methyl]-trimethylsilane;iridium

2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;[dideuterio-[4-(2-phenyl-3H-benzimidazol-4-yl)-3,5-di(propan-2-yl)phenyl]methyl]-trimethylsilane;iridium (PubChem CID 168730756) has the molecular formula C72H70IrN4OSi-2 and a molecular weight of 1229.69 g/mol. Its IUPAC name is 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;[dideuterio-[4-(2-phenyl-3H-benzimidazol-4-yl)-3,5-di(propan-2-yl)phenyl]methyl]-trimethylsilane;iridium.

Molecular Properties

• Compound Name: 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;[dideuterio-[4-(2-phenyl-3H-benzimidazol-4-yl)-3,5-di(propan-2-yl)phenyl]methyl]-trimethylsilane;iridium
• PubChem CID: 168730756
• Molecular Formula: C72H70IrN4OSi-2
• Molecular Weight: 1229.69 g/mol
• Exact Mass: 1229.51
• IUPAC Name: 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;[dideuterio-[4-(2-phenyl-3H-benzimidazol-4-yl)-3,5-di(propan-2-yl)phenyl]methyl]-trimethylsilane;iridium
• SMILES: CC(C)c1cc(-c2ccc(-c3ccccc3)cc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.[2H]C([2H])(c1cc(C(C)C)c(-c2cccc3nc(-c4[c-]cccc4)[nH]c23)c(C(C)C)c1)[Si](C)(C)C.[Ir]
• InChI: InChI=1S/C43H35N2O.C29H35N2Si.Ir/c1-27(2)36-25-32(31-23-21-30(22-24-31)29-13-6-5-7-14-29)26-37(28(3)4)41(36)45-39-19-10-9-18-38(39)44-43(45)35-17-12-16-34-33-15-8-11-20-40(33)46-42(34)35;1-19(2)24-16-21(18-32(5,6)7)17-25(20(3)4)27(24)23-14-11-15-26-28(23)31-29(30-26)22-12-9-8-10-13-22;/h5-16,18-28H,1-4H3;8-12,14-17,19-20H,18H2,1-7H3,(H,30,31);/q2*-1;/i;18D2
• InChIKey: MNXXASPXUKQJGF-AOUFXVHRSA-N
• XLogP: 20.33
• TPSA: 59.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1229.69
LogP ≤ 5	20.33
H-Bond Donors ≤ 5	1
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 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;[dideuterio-[4-(2-phenyl-3H-benzimidazol-4-yl)-3,5-di(propan-2-yl)phenyl]methyl]-trimethylsilane;iridium?

The IUPAC name of 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;[dideuterio-[4-(2-phenyl-3H-benzimidazol-4-yl)-3,5-di(propan-2-yl)phenyl]methyl]-trimethylsilane;iridium (CID 168730756) is 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;[dideuterio-[4-(2-phenyl-3H-benzimidazol-4-yl)-3,5-di(propan-2-yl)phenyl]methyl]-trimethylsilane;iridium.

What is the SMILES notation for 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;[dideuterio-[4-(2-phenyl-3H-benzimidazol-4-yl)-3,5-di(propan-2-yl)phenyl]methyl]-trimethylsilane;iridium?

The canonical SMILES for 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;[dideuterio-[4-(2-phenyl-3H-benzimidazol-4-yl)-3,5-di(propan-2-yl)phenyl]methyl]-trimethylsilane;iridium is CC(C)c1cc(-c2ccc(-c3ccccc3)cc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.[2H]C([2H])(c1cc(C(C)C)c(-c2cccc3nc(-c4[c-]cccc4)[nH]c23)c(C(C)C)c1)[Si](C)(C)C.[Ir].

What is the InChIKey of 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;[dideuterio-[4-(2-phenyl-3H-benzimidazol-4-yl)-3,5-di(propan-2-yl)phenyl]methyl]-trimethylsilane;iridium?

The InChIKey is MNXXASPXUKQJGF-AOUFXVHRSA-N. The full InChI is InChI=1S/C43H35N2O.C29H35N2Si.Ir/c1-27(2)36-25-32(31-23-21-30(22-24-31)29-13-6-5-7-14-29)26-37(28(3)4)41(36)45-39-19-10-9-18-38(39)44-43(45)35-17-12-16-34-33-15-8-11-20-40(33)46-42(34)35;1-19(2)24-16-21(18-32(5,6)7)17-25(20(3)4)27(24)23-14-11-15-26-28(23)31-29(30-26)22-12-9-8-10-13-22;/h5-16,18-28H,1-4H3;8-12,14-17,19-20H,18H2,1-7H3,(H,30,31);/q2*-1;/i;18D2;.

What are the key properties of 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;[dideuterio-[4-(2-phenyl-3H-benzimidazol-4-yl)-3,5-di(propan-2-yl)phenyl]methyl]-trimethylsilane;iridium?

2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;[dideuterio-[4-(2-phenyl-3H-benzimidazol-4-yl)-3,5-di(propan-2-yl)phenyl]methyl]-trimethylsilane;iridium has a molecular weight of 1229.69 g/mol, XLogP of 20.33, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;[dideuterio-[4-(2-phenyl-3H-benzimidazol-4-yl)-3,5-di(propan-2-yl)phenyl]methyl]-trimethylsilane;iridium is sourced from PubChem (CID 168730756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).