1-(2-tert-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tris(iridium);methane;tris(trimethyl-[4-methyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)

C158H157Ir3N9O3Si3-6 — CID 163704633

About 1-(2-tert-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tris(iridium);methane;tris(trimethyl-[4-methyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)

1-(2-tert-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tris(iridium);methane;tris(trimethyl-[4-methyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane) (PubChem CID 163704633) has the molecular formula C158H157Ir3N9O3Si3-6 and a molecular weight of 2900.02 g/mol. Its IUPAC name is 1-(2-tert-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tris(iridium);methane;tris(trimethyl-[4-methyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane).

Molecular Properties

• Compound Name: 1-(2-tert-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tris(iridium);methane;tris(trimethyl-[4-methyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)
• PubChem CID: 163704633
• Molecular Formula: C158H157Ir3N9O3Si3-6
• Molecular Weight: 2900.02 g/mol
• Exact Mass: 2900.12
• IUPAC Name: 1-(2-tert-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tris(iridium);methane;tris(trimethyl-[4-methyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)
• SMILES: C.C.C.CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3ccccc34)nc3ccccc32)c(-c2ccccc2)c1.CC(C)(C)c1cccc(-c2ccccc2)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c([Si](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c([Si](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c([Si](C)(C)C)cn2)cc1.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C37H31N2O.2C35H27N2O.3C16H20NSi.3CH4.3Ir/c1-23(2)30-21-26(25-13-6-5-7-14-25)22-31(24(3)4)35(30)39-33-19-10-9-18-32(33)38-37(39)29-17-12-16-28-27-15-8-11-20-34(27)40-36(28)29;1-35(2,3)28-19-12-16-24(23-13-5-4-6-14-23)32(28)37-30-21-9-8-20-29(30)36-34(37)27-18-11-17-26-25-15-7-10-22-31(25)38-33(26)27;1-35(2,3)24-20-21-30(28(22-24)23-12-5-4-6-13-23)37-31-18-9-8-17-29(31)36-34(37)27-16-11-15-26-25-14-7-10-19-32(25)38-33(26)27;3*1-12-6-8-14(9-7-12)15-10-13(2)16(11-17-15)18(3,4)5;;;;;;/h5-16,18-24H,1-4H3;4-17,19-22H,1-3H3;4-15,17-22H,1-3H3;3*6-8,10-11H,1-5H3;3*1H4;;;/q6*-1;;;;;;/i;;;3*1D3
• InChIKey: KXHDIPQARAFPAQ-JPUNLDLNSA-N
• XLogP: 42.05
• TPSA: 131.55 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2900.02
LogP ≤ 5	42.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tris(iridium);methane;tris(trimethyl-[4-methyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)?

The IUPAC name of 1-(2-tert-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tris(iridium);methane;tris(trimethyl-[4-methyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane) (CID 163704633) is 1-(2-tert-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tris(iridium);methane;tris(trimethyl-[4-methyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane).

What is the SMILES notation for 1-(2-tert-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tris(iridium);methane;tris(trimethyl-[4-methyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)?

The canonical SMILES for 1-(2-tert-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tris(iridium);methane;tris(trimethyl-[4-methyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane) is C.C.C.CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3ccccc34)nc3ccccc32)c(-c2ccccc2)c1.CC(C)(C)c1cccc(-c2ccccc2)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c([Si](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c([Si](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c([Si](C)(C)C)cn2)cc1.[Ir].[Ir].[Ir].

What is the InChIKey of 1-(2-tert-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tris(iridium);methane;tris(trimethyl-[4-methyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)?

The InChIKey is KXHDIPQARAFPAQ-JPUNLDLNSA-N. The full InChI is InChI=1S/C37H31N2O.2C35H27N2O.3C16H20NSi.3CH4.3Ir/c1-23(2)30-21-26(25-13-6-5-7-14-25)22-31(24(3)4)35(30)39-33-19-10-9-18-32(33)38-37(39)29-17-12-16-28-27-15-8-11-20-34(27)40-36(28)29;1-35(2,3)28-19-12-16-24(23-13-5-4-6-14-23)32(28)37-30-21-9-8-20-29(30)36-34(37)27-18-11-17-26-25-15-7-10-22-31(25)38-33(26)27;1-35(2,3)24-20-21-30(28(22-24)23-12-5-4-6-13-23)37-31-18-9-8-17-29(31)36-34(37)27-16-11-15-26-25-14-7-10-19-32(25)38-33(26)27;3*1-12-6-8-14(9-7-12)15-10-13(2)16(11-17-15)18(3,4)5;;;;;;/h5-16,18-24H,1-4H3;4-17,19-22H,1-3H3;4-15,17-22H,1-3H3;3*6-8,10-11H,1-5H3;3*1H4;;;/q6*-1;;;;;;/i;;;3*1D3;;;;;;.

What are the key properties of 1-(2-tert-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tris(iridium);methane;tris(trimethyl-[4-methyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)?

1-(2-tert-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tris(iridium);methane;tris(trimethyl-[4-methyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane) has a molecular weight of 2900.02 g/mol, XLogP of 42.05, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-tert-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tris(iridium);methane;tris(trimethyl-[4-methyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane) is sourced from PubChem (CID 163704633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).