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-(2,4-diphenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-diphenylphenyl)benzimidazole;tetrakis([4-(2,2-dimethylpropyl)-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane);tetrakis(iridium)

C224H212Ir4N12O4Si4-8 — CID 159382169

IUPAC1-(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-(2,4-diphenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-diphenylphenyl)benzimidazole;tetrakis([4-(2,2-dimethylpropyl)-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane);tetrakis(iridium)
SMILESCC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3ccccc34)nc3ccccc32)c(-c2ccccc2)c1.CC(C)(C)c1cccc(-c2ccccc2)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.Cc1c[c-]c(-c2cc(CC(C)(C)C)c([Si](C)(C)C)cn2)cc1.Cc1c[c-]c(-c2cc(CC(C)(C)C)c([Si](C)(C)C)cn2)cc1.Cc1c[c-]c(-c2cc(CC(C)(C)C)c([Si](C)(C)C)cn2)cc1.Cc1c[c-]c(-c2cc(CC(C)(C)C)c([Si](C)(C)C)cn2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1c(-c2ccccc2)cccc1-c1ccccc1.[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/2C37H23N2O.2C35H27N2O.4C20H28NSi.4Ir/c1-3-13-25(14-4-1)27-18-11-19-28(26-15-5-2-6-16-26)35(27)39-33-23-9-8-22-32(33)38-37(39)31-21-12-20-30-29-17-7-10-24-34(29)40-36(30)31;1-3-12-25(13-4-1)27-22-23-33(31(24-27)26-14-5-2-6-15-26)39-34-20-9-8-19-32(34)38-37(39)30-18-11-17-29-28-16-7-10-21-35(28)40-36(29)30;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;4*1-15-8-10-16(11-9-15)18-12-17(13-20(2,3)4)19(14-21-18)22(5,6)7;;;;/h1-20,22-24H;1-17,19-24H;4-17,19-22H,1-3H3;4-15,17-22H,1-3H3;4*8-10,12,14H,13H2,1-7H3;;;;/q8*-1;;;;
InChIKeyAYCWBXRURNQBHA-UHFFFAOYSA-N
MW4017.45 g/mol
LogP58.12
Rot. Bonds26

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-(2,4-diphenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-diphenylphenyl)benzimidazole;tetrakis([4-(2,2-dimethylpropyl)-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane);tetrakis(iridium)

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-(2,4-diphenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-diphenylphenyl)benzimidazole;tetrakis([4-(2,2-dimethylpropyl)-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane);tetrakis(iridium) (PubChem CID 159382169) has the molecular formula C224H212Ir4N12O4Si4-8 and a molecular weight of 4017.45 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-(2,4-diphenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-diphenylphenyl)benzimidazole;tetrakis([4-(2,2-dimethylpropyl)-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane);tetrakis(iridium).

Molecular Properties

Compound Name1-(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-(2,4-diphenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-diphenylphenyl)benzimidazole;tetrakis([4-(2,2-dimethylpropyl)-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane);tetrakis(iridium)
PubChem CID159382169
Molecular FormulaC224H212Ir4N12O4Si4-8
Molecular Weight4017.45 g/mol
Exact Mass4017.44
IUPAC Name1-(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-(2,4-diphenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-diphenylphenyl)benzimidazole;tetrakis([4-(2,2-dimethylpropyl)-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane);tetrakis(iridium)
SMILESCC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3ccccc34)nc3ccccc32)c(-c2ccccc2)c1.CC(C)(C)c1cccc(-c2ccccc2)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.Cc1c[c-]c(-c2cc(CC(C)(C)C)c([Si](C)(C)C)cn2)cc1.Cc1c[c-]c(-c2cc(CC(C)(C)C)c([Si](C)(C)C)cn2)cc1.Cc1c[c-]c(-c2cc(CC(C)(C)C)c([Si](C)(C)C)cn2)cc1.Cc1c[c-]c(-c2cc(CC(C)(C)C)c([Si](C)(C)C)cn2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1c(-c2ccccc2)cccc1-c1ccccc1.[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/2C37H23N2O.2C35H27N2O.4C20H28NSi.4Ir/c1-3-13-25(14-4-1)27-18-11-19-28(26-15-5-2-6-16-26)35(27)39-33-23-9-8-22-32(33)38-37(39)31-21-12-20-30-29-17-7-10-24-34(29)40-36(30)31;1-3-12-25(13-4-1)27-22-23-33(31(24-27)26-14-5-2-6-15-26)39-34-20-9-8-19-32(34)38-37(39)30-18-11-17-29-28-16-7-10-21-35(28)40-36(29)30;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;4*1-15-8-10-16(11-9-15)18-12-17(13-20(2,3)4)19(14-21-18)22(5,6)7;;;;/h1-20,22-24H;1-17,19-24H;4-17,19-22H,1-3H3;4-15,17-22H,1-3H3;4*8-10,12,14H,13H2,1-7H3;;;;/q8*-1;;;;
InChIKeyAYCWBXRURNQBHA-UHFFFAOYSA-N
XLogP58.12
TPSA175.40 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms248
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004017.45
LogP ≤ 558.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 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-(2,4-diphenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-diphenylphenyl)benzimidazole;tetrakis([4-(2,2-dimethylpropyl)-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane);tetrakis(iridium) with MolForge

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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-(2,4-diphenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-diphenylphenyl)benzimidazole;tetrakis([4-(2,2-dimethylpropyl)-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane);tetrakis(iridium)?
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-(2,4-diphenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-diphenylphenyl)benzimidazole;tetrakis([4-(2,2-dimethylpropyl)-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane);tetrakis(iridium) (CID 159382169) 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-(2,4-diphenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-diphenylphenyl)benzimidazole;tetrakis([4-(2,2-dimethylpropyl)-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane);tetrakis(iridium).
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-(2,4-diphenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-diphenylphenyl)benzimidazole;tetrakis([4-(2,2-dimethylpropyl)-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane);tetrakis(iridium)?
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-(2,4-diphenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-diphenylphenyl)benzimidazole;tetrakis([4-(2,2-dimethylpropyl)-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane);tetrakis(iridium) is CC(C)(C)c1ccc(-n2c(-c3[c-]ccc4c3oc3ccccc34)nc3ccccc32)c(-c2ccccc2)c1.CC(C)(C)c1cccc(-c2ccccc2)c1-n1c(-c2[c-]ccc3c2oc2ccccc23)nc2ccccc21.Cc1c[c-]c(-c2cc(CC(C)(C)C)c([Si](C)(C)C)cn2)cc1.Cc1c[c-]c(-c2cc(CC(C)(C)C)c([Si](C)(C)C)cn2)cc1.Cc1c[c-]c(-c2cc(CC(C)(C)C)c([Si](C)(C)C)cn2)cc1.Cc1c[c-]c(-c2cc(CC(C)(C)C)c([Si](C)(C)C)cn2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1c(-c2ccccc2)cccc1-c1ccccc1.[c-]1ccc2c(oc3ccccc32)c1-c1nc2ccccc2n1-c1ccc(-c2ccccc2)cc1-c1ccccc1.
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-(2,4-diphenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-diphenylphenyl)benzimidazole;tetrakis([4-(2,2-dimethylpropyl)-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane);tetrakis(iridium)?
The InChIKey is AYCWBXRURNQBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C37H23N2O.2C35H27N2O.4C20H28NSi.4Ir/c1-3-13-25(14-4-1)27-18-11-19-28(26-15-5-2-6-16-26)35(27)39-33-23-9-8-22-32(33)38-37(39)31-21-12-20-30-29-17-7-10-24-34(29)40-36(30)31;1-3-12-25(13-4-1)27-22-23-33(31(24-27)26-14-5-2-6-15-26)39-34-20-9-8-19-32(34)38-37(39)30-18-11-17-29-28-16-7-10-21-35(28)40-36(29)30;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;4*1-15-8-10-16(11-9-15)18-12-17(13-20(2,3)4)19(14-21-18)22(5,6)7;;;;/h1-20,22-24H;1-17,19-24H;4-17,19-22H,1-3H3;4-15,17-22H,1-3H3;4*8-10,12,14H,13H2,1-7H3;;;;/q8*-1;;;;.
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-(2,4-diphenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-diphenylphenyl)benzimidazole;tetrakis([4-(2,2-dimethylpropyl)-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane);tetrakis(iridium)?
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-(2,4-diphenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-diphenylphenyl)benzimidazole;tetrakis([4-(2,2-dimethylpropyl)-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane);tetrakis(iridium) has a molecular weight of 4017.45 g/mol, XLogP of 58.12, 26 rotatable bonds, 0 hydrogen bond donors, and 16 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-(2,4-diphenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-diphenylphenyl)benzimidazole;tetrakis([4-(2,2-dimethylpropyl)-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane);tetrakis(iridium) is sourced from PubChem (CID 159382169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).