tetrakis(1-(4-tert-butylphenyl)-2-(2H-dibenzothiophen-2-id-3-yl)benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]germane

C183H179Ge4Ir4N13S4-8 — CID 163646159

IUPACtetrakis(1-(4-tert-butylphenyl)-2-(2H-dibenzothiophen-2-id-3-yl)benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]germane
SMILESCC(C)(C)c1ccc(-n2c(-c3[c-]cc4c(c3)sc3ccccc34)nc3ccccc32)cc1.CC(C)(C)c1ccc(-n2c(-c3[c-]cc4c(c3)sc3ccccc34)nc3ccccc32)cc1.CC(C)(C)c1ccc(-n2c(-c3[c-]cc4c(c3)sc3ccccc34)nc3ccccc32)cc1.CC(C)(C)c1ccc(-n2c(-c3[c-]cc4c(c3)sc3ccccc34)nc3ccccc32)cc1.CC(C)Cc1cc(-c2[c-]cncc2)ncc1[Ge](C)(C)C.[2H]C([2H])([2H])c1nc(-c2[c-]cccc2)cc(C)c1[Ge](C)(C)C.[2H]c1[c-]c(-c2cc(C([2H])([2H])C(C)C)c([Ge](C)(C)C)cn2)cc([2H])c1C([2H])([2H])[2H].[2H]c1[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc([2H])c1C([2H])([2H])[2H].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C29H23N2S.C19H26GeN.C17H23GeN2.C16H20GeN.C15H18GeN.4Ir/c4*1-29(2,3)20-13-15-21(16-14-20)31-25-10-6-5-9-24(25)30-28(31)19-12-17-23-22-8-4-7-11-26(22)32-27(23)18-19;1-14(2)11-17-12-19(16-9-7-15(3)8-10-16)21-13-18(17)20(4,5)6;1-13(2)10-15-11-17(14-6-8-19-9-7-14)20-12-16(15)18(3,4)5;1-12-11-15(14-9-7-6-8-10-14)18-13(2)16(12)17(3,4)5;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;;;;/h4*4-11,13-18H,1-3H3;7-9,12-14H,11H2,1-6H3;6,8-9,11-13H,10H2,1-5H3;6-9,11H,1-5H3;5-7,9-11H,1-4H3;;;;/q8*-1;;;;/i;;;;3D3,7D,8D,11D2;;2D3;1D3,5D,6D;;;;
InChIKeyVPTBINLYZPATPB-OAQXFYBJSA-N
MW3763.20 g/mol
LogP48.02
Rot. Bonds23

About tetrakis(1-(4-tert-butylphenyl)-2-(2H-dibenzothiophen-2-id-3-yl)benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]germane

tetrakis(1-(4-tert-butylphenyl)-2-(2H-dibenzothiophen-2-id-3-yl)benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]germane (PubChem CID 163646159) has the molecular formula C183H179Ge4Ir4N13S4-8 and a molecular weight of 3763.20 g/mol. Its IUPAC name is tetrakis(1-(4-tert-butylphenyl)-2-(2H-dibenzothiophen-2-id-3-yl)benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]germane.

Molecular Properties

Compound Nametetrakis(1-(4-tert-butylphenyl)-2-(2H-dibenzothiophen-2-id-3-yl)benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]germane
PubChem CID163646159
Molecular FormulaC183H179Ge4Ir4N13S4-8
Molecular Weight3763.20 g/mol
Exact Mass3768.96
IUPAC Nametetrakis(1-(4-tert-butylphenyl)-2-(2H-dibenzothiophen-2-id-3-yl)benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]germane
SMILESCC(C)(C)c1ccc(-n2c(-c3[c-]cc4c(c3)sc3ccccc34)nc3ccccc32)cc1.CC(C)(C)c1ccc(-n2c(-c3[c-]cc4c(c3)sc3ccccc34)nc3ccccc32)cc1.CC(C)(C)c1ccc(-n2c(-c3[c-]cc4c(c3)sc3ccccc34)nc3ccccc32)cc1.CC(C)(C)c1ccc(-n2c(-c3[c-]cc4c(c3)sc3ccccc34)nc3ccccc32)cc1.CC(C)Cc1cc(-c2[c-]cncc2)ncc1[Ge](C)(C)C.[2H]C([2H])([2H])c1nc(-c2[c-]cccc2)cc(C)c1[Ge](C)(C)C.[2H]c1[c-]c(-c2cc(C([2H])([2H])C(C)C)c([Ge](C)(C)C)cn2)cc([2H])c1C([2H])([2H])[2H].[2H]c1[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc([2H])c1C([2H])([2H])[2H].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/4C29H23N2S.C19H26GeN.C17H23GeN2.C16H20GeN.C15H18GeN.4Ir/c4*1-29(2,3)20-13-15-21(16-14-20)31-25-10-6-5-9-24(25)30-28(31)19-12-17-23-22-8-4-7-11-26(22)32-27(23)18-19;1-14(2)11-17-12-19(16-9-7-15(3)8-10-16)21-13-18(17)20(4,5)6;1-13(2)10-15-11-17(14-6-8-19-9-7-14)20-12-16(15)18(3,4)5;1-12-11-15(14-9-7-6-8-10-14)18-13(2)16(12)17(3,4)5;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;;;;/h4*4-11,13-18H,1-3H3;7-9,12-14H,11H2,1-6H3;6,8-9,11-13H,10H2,1-5H3;6-9,11H,1-5H3;5-7,9-11H,1-4H3;;;;/q8*-1;;;;/i;;;;3D3,7D,8D,11D2;;2D3;1D3,5D,6D;;;;
InChIKeyVPTBINLYZPATPB-OAQXFYBJSA-N
XLogP48.02
TPSA135.73 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds23
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003763.20
LogP ≤ 548.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze tetrakis(1-(4-tert-butylphenyl)-2-(2H-dibenzothiophen-2-id-3-yl)benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]germane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tetrakis(1-(4-tert-butylphenyl)-2-(2H-dibenzothiophen-2-id-3-yl)benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]germane?
The IUPAC name of tetrakis(1-(4-tert-butylphenyl)-2-(2H-dibenzothiophen-2-id-3-yl)benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]germane (CID 163646159) is tetrakis(1-(4-tert-butylphenyl)-2-(2H-dibenzothiophen-2-id-3-yl)benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]germane.
What is the SMILES notation for tetrakis(1-(4-tert-butylphenyl)-2-(2H-dibenzothiophen-2-id-3-yl)benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]germane?
The canonical SMILES for tetrakis(1-(4-tert-butylphenyl)-2-(2H-dibenzothiophen-2-id-3-yl)benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]germane is CC(C)(C)c1ccc(-n2c(-c3[c-]cc4c(c3)sc3ccccc34)nc3ccccc32)cc1.CC(C)(C)c1ccc(-n2c(-c3[c-]cc4c(c3)sc3ccccc34)nc3ccccc32)cc1.CC(C)(C)c1ccc(-n2c(-c3[c-]cc4c(c3)sc3ccccc34)nc3ccccc32)cc1.CC(C)(C)c1ccc(-n2c(-c3[c-]cc4c(c3)sc3ccccc34)nc3ccccc32)cc1.CC(C)Cc1cc(-c2[c-]cncc2)ncc1[Ge](C)(C)C.[2H]C([2H])([2H])c1nc(-c2[c-]cccc2)cc(C)c1[Ge](C)(C)C.[2H]c1[c-]c(-c2cc(C([2H])([2H])C(C)C)c([Ge](C)(C)C)cn2)cc([2H])c1C([2H])([2H])[2H].[2H]c1[c-]c(-c2ccc([Ge](C)(C)C)cn2)cc([2H])c1C([2H])([2H])[2H].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of tetrakis(1-(4-tert-butylphenyl)-2-(2H-dibenzothiophen-2-id-3-yl)benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]germane?
The InChIKey is VPTBINLYZPATPB-OAQXFYBJSA-N. The full InChI is InChI=1S/4C29H23N2S.C19H26GeN.C17H23GeN2.C16H20GeN.C15H18GeN.4Ir/c4*1-29(2,3)20-13-15-21(16-14-20)31-25-10-6-5-9-24(25)30-28(31)19-12-17-23-22-8-4-7-11-26(22)32-27(23)18-19;1-14(2)11-17-12-19(16-9-7-15(3)8-10-16)21-13-18(17)20(4,5)6;1-13(2)10-15-11-17(14-6-8-19-9-7-14)20-12-16(15)18(3,4)5;1-12-11-15(14-9-7-6-8-10-14)18-13(2)16(12)17(3,4)5;1-12-5-7-13(8-6-12)15-10-9-14(11-17-15)16(2,3)4;;;;/h4*4-11,13-18H,1-3H3;7-9,12-14H,11H2,1-6H3;6,8-9,11-13H,10H2,1-5H3;6-9,11H,1-5H3;5-7,9-11H,1-4H3;;;;/q8*-1;;;;/i;;;;3D3,7D,8D,11D2;;2D3;1D3,5D,6D;;;;.
What are the key properties of tetrakis(1-(4-tert-butylphenyl)-2-(2H-dibenzothiophen-2-id-3-yl)benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]germane?
tetrakis(1-(4-tert-butylphenyl)-2-(2H-dibenzothiophen-2-id-3-yl)benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]germane has a molecular weight of 3763.20 g/mol, XLogP of 48.02, 23 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1-(4-tert-butylphenyl)-2-(2H-dibenzothiophen-2-id-3-yl)benzimidazole);[4-(1,1-dideuterio-2-methylpropyl)-6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;[6-[3,5-dideuterio-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;tetrakis(iridium);trimethyl-[4-methyl-6-phenyl-2-(trideuteriomethyl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(3H-pyridin-3-id-4-yl)-3-pyridinyl]germane is sourced from PubChem (CID 163646159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).