2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3-dideuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum

C62H68N3OPt- — CID 153477406

About 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3-dideuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum

2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3-dideuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum (PubChem CID 153477406) has the molecular formula C62H68N3OPt- and a molecular weight of 1077.39 g/mol. Its IUPAC name is 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3-dideuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum.

Molecular Properties

• Compound Name: 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3-dideuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum
• PubChem CID: 153477406
• Molecular Formula: C62H68N3OPt-
• Molecular Weight: 1077.39 g/mol
• Exact Mass: 1076.57
• IUPAC Name: 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3-dideuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum
• SMILES: [2H]c1nc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C)cc(C)c3O)n4-c3ccc(-c4c(C(C)(CC)CC)cccc4C(C)(CC)CC)cc3C([2H])([2H])[2H])cc(C(C)(C)C)c2)c([2H])c(-c2ccc(C([2H])([2H])[2H])c([2H])c2[2H])c1[2H].[Pt]
• InChI: InChI=1S/C62H68N3O.Pt/c1-14-61(12,15-2)51-21-19-22-52(62(13,16-3)17-4)56(51)45-28-29-54(41(7)34-45)65-55-23-18-20-49(57(55)64-59(65)50-33-40(6)32-42(8)58(50)66)46-35-47(37-48(36-46)60(9,10)11)53-38-44(30-31-63-53)43-26-24-39(5)25-27-43;/h18-34,36-38,66H,14-17H2,1-13H3;/q-1;/i5D3,7D3,24D,26D,30D,31D,38D
• InChIKey: JPKLVTPUZGIMHZ-WMBORWGTSA-N
• XLogP: 16.95
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1077.39
LogP ≤ 5	16.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3-dideuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum?

The IUPAC name of 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3-dideuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum (CID 153477406) is 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3-dideuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum.

What is the SMILES notation for 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3-dideuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum?

The canonical SMILES for 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3-dideuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum is [2H]c1nc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C)cc(C)c3O)n4-c3ccc(-c4c(C(C)(CC)CC)cccc4C(C)(CC)CC)cc3C([2H])([2H])[2H])cc(C(C)(C)C)c2)c([2H])c(-c2ccc(C([2H])([2H])[2H])c([2H])c2[2H])c1[2H].[Pt].

What is the InChIKey of 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3-dideuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum?

The InChIKey is JPKLVTPUZGIMHZ-WMBORWGTSA-N. The full InChI is InChI=1S/C62H68N3O.Pt/c1-14-61(12,15-2)51-21-19-22-52(62(13,16-3)17-4)56(51)45-28-29-54(41(7)34-45)65-55-23-18-20-49(57(55)64-59(65)50-33-40(6)32-42(8)58(50)66)46-35-47(37-48(36-46)60(9,10)11)53-38-44(30-31-63-53)43-26-24-39(5)25-27-43;/h18-34,36-38,66H,14-17H2,1-13H3;/q-1;/i5D3,7D3,24D,26D,30D,31D,38D;.

What are the key properties of 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3-dideuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum?

2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3-dideuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum has a molecular weight of 1077.39 g/mol, XLogP of 16.95, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[4-[2,6-bis(3-methylpentan-3-yl)phenyl]-2-(trideuteriomethyl)phenyl]-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3-dideuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum is sourced from PubChem (CID 153477406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).