2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(3,5-dideuterio-4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]phenol;platinum

C58H60N3OPt- — CID 171425030

About 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(3,5-dideuterio-4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(3,5-dideuterio-4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]phenol;platinum (PubChem CID 171425030) has the molecular formula C58H60N3OPt- and a molecular weight of 1017.26 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(3,5-dideuterio-4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(3,5-dideuterio-4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 171425030
• Molecular Formula: C58H60N3OPt-
• Molecular Weight: 1017.26 g/mol
• Exact Mass: 1016.48
• IUPAC Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(3,5-dideuterio-4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]phenol;platinum
• SMILES: [2H]c1cnc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3ccc(C(C)(C)C)cc3-c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc(C(C)(C)C)c2)c([2H])c1-c1ccccc1.[Pt]
• InChI: InChI=1S/C58H60N3O.Pt/c1-55(2,3)42-26-27-50(46(34-42)38-22-17-14-18-23-38)61-51-25-19-24-45(52(51)60-54(61)47-35-44(57(7,8)9)36-48(53(47)62)58(10,11)12)40-30-41(32-43(31-40)56(4,5)6)49-33-39(28-29-59-49)37-20-15-13-16-21-37;/h13-29,31-36,62H,1-12H3;/q-1;/i14D,17D,18D,22D,23D,28D,33D
• InChIKey: QEQGXQMTDYVVCO-OSKLLJSTSA-N
• XLogP: 15.45
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1017.26
LogP ≤ 5	15.45
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 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(3,5-dideuterio-4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(3,5-dideuterio-4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]phenol;platinum (CID 171425030) is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(3,5-dideuterio-4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(3,5-dideuterio-4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(3,5-dideuterio-4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]phenol;platinum is [2H]c1cnc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3ccc(C(C)(C)C)cc3-c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc(C(C)(C)C)c2)c([2H])c1-c1ccccc1.[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(3,5-dideuterio-4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]phenol;platinum?

The InChIKey is QEQGXQMTDYVVCO-OSKLLJSTSA-N. The full InChI is InChI=1S/C58H60N3O.Pt/c1-55(2,3)42-26-27-50(46(34-42)38-22-17-14-18-23-38)61-51-25-19-24-45(52(51)60-54(61)47-35-44(57(7,8)9)36-48(53(47)62)58(10,11)12)40-30-41(32-43(31-40)56(4,5)6)49-33-39(28-29-59-49)37-20-15-13-16-21-37;/h13-29,31-36,62H,1-12H3;/q-1;/i14D,17D,18D,22D,23D,28D,33D;.

What are the key properties of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(3,5-dideuterio-4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]phenol;platinum?

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(3,5-dideuterio-4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1017.26 g/mol, XLogP of 15.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(3,5-dideuterio-4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 171425030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).