1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane)

C182H156Ir4N12O4Si4-8 — CID 163981947

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

1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane) (PubChem CID 163981947) has the molecular formula C182H156Ir4N12O4Si4-8 and a molecular weight of 3456.54 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane).

Molecular Properties

• Compound Name: 1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane)
• PubChem CID: 163981947
• Molecular Formula: C182H156Ir4N12O4Si4-8
• Molecular Weight: 3456.54 g/mol
• Exact Mass: 3457.00
• IUPAC Name: 1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane)
• SMILES: CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3ccccc34)nc3ccccc32)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.Cc1c[c-]c(-c2cc(C)c([Si](C)(C)C)cn2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccc(-c2ccccc2)cc1.[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccc2ccccc2c1.[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1cccc2ccccc12
• InChI: InChI=1S/C31H19N2O.2C29H17N2O.C29H23N2O.4C16H20NSi.4Ir/c1-2-9-21(10-3-1)22-17-19-23(20-18-22)33-28-15-6-5-14-27(28)32-31(33)26-13-8-12-25-24-11-4-7-16-29(24)34-30(25)26;1-2-11-20-19(9-1)10-7-17-25(20)31-26-16-5-4-15-24(26)30-29(31)23-14-8-13-22-21-12-3-6-18-27(21)32-28(22)23;1-2-9-20-18-21(17-16-19(20)8-1)31-26-14-5-4-13-25(26)30-29(31)24-12-7-11-23-22-10-3-6-15-27(22)32-28(23)24;1-29(2,3)19-15-17-20(18-16-19)31-25-13-6-5-12-24(25)30-28(31)23-11-8-10-22-21-9-4-7-14-26(21)32-27(22)23;4*1-12-6-8-14(9-7-12)15-10-13(2)16(11-17-15)18(3,4)5;;;;/h1-12,14-20H;1-13,15-18H;1-11,13-18H;4-10,12-18H,1-3H3;4*6-8,10-11H,1-5H3;;;;/q8*-1
• InChIKey: VGFFQCXZBJOSAJ-UHFFFAOYSA-N
• XLogP: 45.67
• TPSA: 175.40 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3456.54
LogP ≤ 5	45.67
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-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane)?

The IUPAC name of 1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane) (CID 163981947) is 1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane).

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

The canonical SMILES for 1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane) is CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3ccccc34)nc3ccccc32)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.Cc1c[c-]c(-c2cc(C)c([Si](C)(C)C)cn2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccc(-c2ccccc2)cc1.[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccc2ccccc2c1.[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1cccc2ccccc12.

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

The InChIKey is VGFFQCXZBJOSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N2O.2C29H17N2O.C29H23N2O.4C16H20NSi.4Ir/c1-2-9-21(10-3-1)22-17-19-23(20-18-22)33-28-15-6-5-14-27(28)32-31(33)26-13-8-12-25-24-11-4-7-16-29(24)34-30(25)26;1-2-11-20-19(9-1)10-7-17-25(20)31-26-16-5-4-15-24(26)30-29(31)23-14-8-13-22-21-12-3-6-18-27(21)32-28(22)23;1-2-9-20-18-21(17-16-19(20)8-1)31-26-14-5-4-13-25(26)30-29(31)24-12-7-11-23-22-10-3-6-15-27(22)32-28(23)24;1-29(2,3)19-15-17-20(18-16-19)31-25-13-6-5-12-24(25)30-28(31)23-11-8-10-22-21-9-4-7-14-26(21)32-27(22)23;4*1-12-6-8-14(9-7-12)15-10-13(2)16(11-17-15)18(3,4)5;;;;/h1-12,14-20H;1-13,15-18H;1-11,13-18H;4-10,12-18H,1-3H3;4*6-8,10-11H,1-5H3;;;;/q8*-1;;;;.

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

1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane) has a molecular weight of 3456.54 g/mol, XLogP of 45.67, 17 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;tetrakis(iridium);tetrakis(trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane) is sourced from PubChem (CID 163981947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).