2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum

C173H178N9O3Pt3-3 — CID 163526946

IUPAC2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum
SMILES[2H]C([2H])([2H])c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)ccc1-n1c(-c2cc(C)cc(C)c2O)nc2c(-c3[c-]c(-c4cc(-c5ccc(C)cc5)ccn4)cc(C(C)(C)C)c3)cccc21.[2H]C([2H])([2H])c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)ccc1-n1c(-c2cc(C)cc(C)c2O)nc2c(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)cc(C(C)(C)C)c3)cccc21.[2H]C([2H])([2H])c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cc(C)cc(C)c4O)n5-c4ccc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4C([2H])([2H])[2H])cc(C(C)(C)C)c3)c2)cc1.[Pt].[Pt].[Pt]
InChIInChI=1S/2C58H60N3O.C57H58N3O.3Pt/c2*1-35-17-19-39(20-18-35)41-23-24-59-50(33-41)44-28-43(31-45(32-44)56(5,6)7)48-15-14-16-52-53(48)60-55(49-26-36(2)25-38(4)54(49)62)61(52)51-22-21-40(27-37(51)3)42-29-46(57(8,9)10)34-47(30-42)58(11,12)13;1-35-25-37(3)53(61)48(26-35)54-59-52-47(42-28-43(32-44(31-42)55(4,5)6)49-33-40(23-24-58-49)38-17-14-13-15-18-38)19-16-20-51(52)60(54)50-22-21-39(27-36(50)2)41-29-45(56(7,8)9)34-46(30-41)57(10,11)12;;;/h2*14-27,29-34,62H,1-13H3;13-27,29-34,61H,1-12H3;;;/q3*-1;;;/i1D3,3D3;3D3;2D3;;;
InChIKeyZEEGTJMDIZMCKP-IVEYTZROSA-N
MW3028.69 g/mol
LogP45.85
Rot. Bonds22

About 2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum

2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum (PubChem CID 163526946) has the molecular formula C173H178N9O3Pt3-3 and a molecular weight of 3028.69 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum.

Molecular Properties

Compound Name2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum
PubChem CID163526946
Molecular FormulaC173H178N9O3Pt3-3
Molecular Weight3028.69 g/mol
Exact Mass3026.38
IUPAC Name2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum
SMILES[2H]C([2H])([2H])c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)ccc1-n1c(-c2cc(C)cc(C)c2O)nc2c(-c3[c-]c(-c4cc(-c5ccc(C)cc5)ccn4)cc(C(C)(C)C)c3)cccc21.[2H]C([2H])([2H])c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)ccc1-n1c(-c2cc(C)cc(C)c2O)nc2c(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)cc(C(C)(C)C)c3)cccc21.[2H]C([2H])([2H])c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cc(C)cc(C)c4O)n5-c4ccc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4C([2H])([2H])[2H])cc(C(C)(C)C)c3)c2)cc1.[Pt].[Pt].[Pt]
InChIInChI=1S/2C58H60N3O.C57H58N3O.3Pt/c2*1-35-17-19-39(20-18-35)41-23-24-59-50(33-41)44-28-43(31-45(32-44)56(5,6)7)48-15-14-16-52-53(48)60-55(49-26-36(2)25-38(4)54(49)62)61(52)51-22-21-40(27-37(51)3)42-29-46(57(8,9)10)34-47(30-42)58(11,12)13;1-35-25-37(3)53(61)48(26-35)54-59-52-47(42-28-43(32-44(31-42)55(4,5)6)49-33-40(23-24-58-49)38-17-14-13-15-18-38)19-16-20-51(52)60(54)50-22-21-39(27-36(50)2)41-29-45(56(7,8)9)34-46(30-41)57(10,11)12;;;/h2*14-27,29-34,62H,1-13H3;13-27,29-34,61H,1-12H3;;;/q3*-1;;;/i1D3,3D3;3D3;2D3;;;
InChIKeyZEEGTJMDIZMCKP-IVEYTZROSA-N
XLogP45.85
TPSA152.82 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms188
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003028.69
LogP ≤ 545.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum?
The IUPAC name of 2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum (CID 163526946) is 2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum.
What is the SMILES notation for 2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum?
The canonical SMILES for 2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum is [2H]C([2H])([2H])c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)ccc1-n1c(-c2cc(C)cc(C)c2O)nc2c(-c3[c-]c(-c4cc(-c5ccc(C)cc5)ccn4)cc(C(C)(C)C)c3)cccc21.[2H]C([2H])([2H])c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)ccc1-n1c(-c2cc(C)cc(C)c2O)nc2c(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)cc(C(C)(C)C)c3)cccc21.[2H]C([2H])([2H])c1ccc(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cc(C)cc(C)c4O)n5-c4ccc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4C([2H])([2H])[2H])cc(C(C)(C)C)c3)c2)cc1.[Pt].[Pt].[Pt].
What is the InChIKey of 2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum?
The InChIKey is ZEEGTJMDIZMCKP-IVEYTZROSA-N. The full InChI is InChI=1S/2C58H60N3O.C57H58N3O.3Pt/c2*1-35-17-19-39(20-18-35)41-23-24-59-50(33-41)44-28-43(31-45(32-44)56(5,6)7)48-15-14-16-52-53(48)60-55(49-26-36(2)25-38(4)54(49)62)61(52)51-22-21-40(27-37(51)3)42-29-46(57(8,9)10)34-47(30-42)58(11,12)13;1-35-25-37(3)53(61)48(26-35)54-59-52-47(42-28-43(32-44(31-42)55(4,5)6)49-33-40(23-24-58-49)38-17-14-13-15-18-38)19-16-20-51(52)60(54)50-22-21-39(27-36(50)2)41-29-45(56(7,8)9)34-46(30-41)57(10,11)12;;;/h2*14-27,29-34,62H,1-13H3;13-27,29-34,61H,1-12H3;;;/q3*-1;;;/i1D3,3D3;3D3;2D3;;;.
What are the key properties of 2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum?
2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum has a molecular weight of 3028.69 g/mol, XLogP of 45.85, 22 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;2-[4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum is sourced from PubChem (CID 163526946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).