tetrakis(1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole);[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(iridium)

C200H172Ir4N12O6S2Si4-8 — CID 157379571

IUPACtetrakis(1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole);[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(iridium)
SMILESCC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3ccccc34)nc3ccccc32)cc1.CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3ccccc34)nc3ccccc32)cc1.CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3ccccc34)nc3ccccc32)cc1.CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3ccccc34)nc3ccccc32)cc1.Cc1cc(-c2[c-]cc3oc4ccccc4c3c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cc3sc4ccccc4c3c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]ccc3c2oc2ccccc23)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]ccc3c2sc2ccccc23)ncc1[Si](C)(C)C.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C29H23N2O.2C21H20NOSi.2C21H20NSSi.4Ir/c4*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;1-14-12-18(22-13-20(14)24(2,3)4)17-10-7-9-16-15-8-5-6-11-19(15)23-21(16)17;1-14-11-18(22-13-21(14)24(2,3)4)15-9-10-20-17(12-15)16-7-5-6-8-19(16)23-20;1-14-12-18(22-13-20(14)24(2,3)4)17-10-7-9-16-15-8-5-6-11-19(15)23-21(16)17;1-14-11-18(22-13-21(14)24(2,3)4)15-9-10-20-17(12-15)16-7-5-6-8-19(16)23-20;;;;/h4*4-10,12-18H,1-3H3;5-9,11-13H,1-4H3;5-8,10-13H,1-4H3;5-9,11-13H,1-4H3;5-8,10-13H,1-4H3;;;;/q8*-1;;;;
InChIKeyGZAKUNUOXJBJNN-UHFFFAOYSA-N
MW3785.00 g/mol
LogP52.89
Rot. Bonds16

About tetrakis(1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole);[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(iridium)

tetrakis(1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole);[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(iridium) (PubChem CID 157379571) has the molecular formula C200H172Ir4N12O6S2Si4-8 and a molecular weight of 3785.00 g/mol. Its IUPAC name is tetrakis(1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole);[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(iridium).

Molecular Properties

Compound Nametetrakis(1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole);[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(iridium)
PubChem CID157379571
Molecular FormulaC200H172Ir4N12O6S2Si4-8
Molecular Weight3785.00 g/mol
Exact Mass3785.06
IUPAC Nametetrakis(1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole);[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(iridium)
SMILESCC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3ccccc34)nc3ccccc32)cc1.CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3ccccc34)nc3ccccc32)cc1.CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3ccccc34)nc3ccccc32)cc1.CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3ccccc34)nc3ccccc32)cc1.Cc1cc(-c2[c-]cc3oc4ccccc4c3c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cc3sc4ccccc4c3c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]ccc3c2oc2ccccc23)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]ccc3c2sc2ccccc23)ncc1[Si](C)(C)C.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C29H23N2O.2C21H20NOSi.2C21H20NSSi.4Ir/c4*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;1-14-12-18(22-13-20(14)24(2,3)4)17-10-7-9-16-15-8-5-6-11-19(15)23-21(16)17;1-14-11-18(22-13-21(14)24(2,3)4)15-9-10-20-17(12-15)16-7-5-6-8-19(16)23-20;1-14-12-18(22-13-20(14)24(2,3)4)17-10-7-9-16-15-8-5-6-11-19(15)23-21(16)17;1-14-11-18(22-13-21(14)24(2,3)4)15-9-10-20-17(12-15)16-7-5-6-8-19(16)23-20;;;;/h4*4-10,12-18H,1-3H3;5-9,11-13H,1-4H3;5-8,10-13H,1-4H3;5-9,11-13H,1-4H3;5-8,10-13H,1-4H3;;;;/q8*-1;;;;
InChIKeyGZAKUNUOXJBJNN-UHFFFAOYSA-N
XLogP52.89
TPSA201.68 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms228
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003785.00
LogP ≤ 552.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tetrakis(1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole);[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(iridium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of tetrakis(1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole);[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(iridium)?
The IUPAC name of tetrakis(1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole);[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(iridium) (CID 157379571) is tetrakis(1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole);[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(iridium).
What is the SMILES notation for tetrakis(1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole);[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(iridium)?
The canonical SMILES for tetrakis(1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole);[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(iridium) is CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3ccccc34)nc3ccccc32)cc1.CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3ccccc34)nc3ccccc32)cc1.CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3ccccc34)nc3ccccc32)cc1.CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3ccccc34)nc3ccccc32)cc1.Cc1cc(-c2[c-]cc3oc4ccccc4c3c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]cc3sc4ccccc4c3c2)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]ccc3c2oc2ccccc23)ncc1[Si](C)(C)C.Cc1cc(-c2[c-]ccc3c2sc2ccccc23)ncc1[Si](C)(C)C.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of tetrakis(1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole);[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(iridium)?
The InChIKey is GZAKUNUOXJBJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/4C29H23N2O.2C21H20NOSi.2C21H20NSSi.4Ir/c4*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;1-14-12-18(22-13-20(14)24(2,3)4)17-10-7-9-16-15-8-5-6-11-19(15)23-21(16)17;1-14-11-18(22-13-21(14)24(2,3)4)15-9-10-20-17(12-15)16-7-5-6-8-19(16)23-20;1-14-12-18(22-13-20(14)24(2,3)4)17-10-7-9-16-15-8-5-6-11-19(15)23-21(16)17;1-14-11-18(22-13-21(14)24(2,3)4)15-9-10-20-17(12-15)16-7-5-6-8-19(16)23-20;;;;/h4*4-10,12-18H,1-3H3;5-9,11-13H,1-4H3;5-8,10-13H,1-4H3;5-9,11-13H,1-4H3;5-8,10-13H,1-4H3;;;;/q8*-1;;;;.
What are the key properties of tetrakis(1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole);[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(iridium)?
tetrakis(1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole);[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(iridium) has a molecular weight of 3785.00 g/mol, XLogP of 52.89, 16 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1-(4-tert-butylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole);[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzothiophen-3-id-4-yl)-4-methyl-3-pyridinyl]-trimethylsilane;tetrakis(iridium) is sourced from PubChem (CID 157379571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).