1-benzyl-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-propan-2-ylbenzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane)

C158H144Ir4N12O4Si4-8 — CID 163621229

About 1-benzyl-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-propan-2-ylbenzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane)

1-benzyl-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-propan-2-ylbenzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane) (PubChem CID 163621229) has the molecular formula C158H144Ir4N12O4Si4-8 and a molecular weight of 3156.18 g/mol. Its IUPAC name is 1-benzyl-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-propan-2-ylbenzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane).

Molecular Properties

• Compound Name: 1-benzyl-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-propan-2-ylbenzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane)
• PubChem CID: 163621229
• Molecular Formula: C158H144Ir4N12O4Si4-8
• Molecular Weight: 3156.18 g/mol
• Exact Mass: 3156.91
• IUPAC Name: 1-benzyl-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-propan-2-ylbenzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane)
• SMILES: CC(C)n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.CCn1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.Cc1c[c-]c(-c2cc(C)c([Si](C)(C)C)cn2)cc1.Cc1c[c-]c(-c2cc(C)c([Si](C)(C)C)cn2)cc1.Cc1c[c-]c(-c2cc(C)c([Si](C)(C)C)cn2)cc1.Cc1c[c-]c(-c2cc(C)c([Si](C)(C)C)cn2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccccc1.[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1Cc1ccccc1
• InChI: InChI=1S/C26H17N2O.C25H15N2O.C22H17N2O.C21H15N2O.4C16H20NSi.4Ir/c1-2-9-18(10-3-1)17-28-23-15-6-5-14-22(23)27-26(28)21-13-8-12-20-19-11-4-7-16-24(19)29-25(20)21;1-2-9-17(10-3-1)27-22-15-6-5-14-21(22)26-25(27)20-13-8-12-19-18-11-4-7-16-23(18)28-24(19)20;1-14(2)24-19-12-5-4-11-18(19)23-22(24)17-10-7-9-16-15-8-3-6-13-20(15)25-21(16)17;1-2-23-18-12-5-4-11-17(18)22-21(23)16-10-7-9-15-14-8-3-6-13-19(14)24-20(15)16;4*1-12-6-8-14(9-7-12)15-10-13(2)16(11-17-15)18(3,4)5;;;;/h1-12,14-16H,17H2;1-12,14-16H;3-9,11-14H,1-2H3;3-9,11-13H,2H2,1H3;4*6-8,10-11H,1-5H3;;;;/q8*-1
• InChIKey: RKFKAFBDCXLLEN-UHFFFAOYSA-N
• XLogP: 39.08
• TPSA: 175.40 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3156.18
LogP ≤ 5	39.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

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-benzyl-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-propan-2-ylbenzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane)?

The IUPAC name of 1-benzyl-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-propan-2-ylbenzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane) (CID 163621229) is 1-benzyl-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-propan-2-ylbenzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane).

What is the SMILES notation for 1-benzyl-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-propan-2-ylbenzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane)?

The canonical SMILES for 1-benzyl-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-propan-2-ylbenzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane) is CC(C)n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.CCn1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.Cc1c[c-]c(-c2cc(C)c([Si](C)(C)C)cn2)cc1.Cc1c[c-]c(-c2cc(C)c([Si](C)(C)C)cn2)cc1.Cc1c[c-]c(-c2cc(C)c([Si](C)(C)C)cn2)cc1.Cc1c[c-]c(-c2cc(C)c([Si](C)(C)C)cn2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccccc1.[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1Cc1ccccc1.

What is the InChIKey of 1-benzyl-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-propan-2-ylbenzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane)?

The InChIKey is RKFKAFBDCXLLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N2O.C25H15N2O.C22H17N2O.C21H15N2O.4C16H20NSi.4Ir/c1-2-9-18(10-3-1)17-28-23-15-6-5-14-22(23)27-26(28)21-13-8-12-20-19-11-4-7-16-24(19)29-25(20)21;1-2-9-17(10-3-1)27-22-15-6-5-14-21(22)26-25(27)20-13-8-12-19-18-11-4-7-16-23(18)28-24(19)20;1-14(2)24-19-12-5-4-11-18(19)23-22(24)17-10-7-9-16-15-8-3-6-13-20(15)25-21(16)17;1-2-23-18-12-5-4-11-17(18)22-21(23)16-10-7-9-15-14-8-3-6-13-19(14)24-20(15)16;4*1-12-6-8-14(9-7-12)15-10-13(2)16(11-17-15)18(3,4)5;;;;/h1-12,14-16H,17H2;1-12,14-16H;3-9,11-14H,1-2H3;3-9,11-13H,2H2,1H3;4*6-8,10-11H,1-5H3;;;;/q8*-1;;;;.

What are the key properties of 1-benzyl-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-propan-2-ylbenzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane)?

1-benzyl-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-propan-2-ylbenzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane) has a molecular weight of 3156.18 g/mol, XLogP of 39.08, 17 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-propan-2-ylbenzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane) is sourced from PubChem (CID 163621229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).