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

C56H56N3OPt- — CID 153478483

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

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-phenyl-4-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum (PubChem CID 153478483) has the molecular formula C56H56N3OPt- and a molecular weight of 992.22 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-phenyl-4-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-phenyl-4-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 153478483
• Molecular Formula: C56H56N3OPt-
• Molecular Weight: 992.22 g/mol
• Exact Mass: 991.47
• IUPAC Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-phenyl-4-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum
• SMILES: [2H]c1c([2H])c(C([2H])([2H])[2H])c([2H])c([2H])c1-c1ccnc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3ccc(C([2H])([2H])[2H])cc3-c3ccccc3)cc(C(C)(C)C)c2)c1.[Pt]
• InChI: InChI=1S/C56H56N3O.Pt/c1-35-20-23-37(24-21-35)39-26-27-57-48(32-39)41-29-40(30-42(31-41)54(3,4)5)44-18-15-19-50-51(44)58-53(46-33-43(55(6,7)8)34-47(52(46)60)56(9,10)11)59(50)49-25-22-36(2)28-45(49)38-16-13-12-14-17-38;/h12-28,30-34,60H,1-11H3;/q-1;/i1D3,2D3,20D,21D,23D,24D
• InChIKey: NNPDASFPAGCZSK-MNZUPVMYSA-N
• XLogP: 14.77
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	992.22
LogP ≤ 5	14.77
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-[4-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-phenyl-4-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-phenyl-4-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum (CID 153478483) is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-phenyl-4-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-phenyl-4-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum is [2H]c1c([2H])c(C([2H])([2H])[2H])c([2H])c([2H])c1-c1ccnc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3ccc(C([2H])([2H])[2H])cc3-c3ccccc3)cc(C(C)(C)C)c2)c1.[Pt].

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

The InChIKey is NNPDASFPAGCZSK-MNZUPVMYSA-N. The full InChI is InChI=1S/C56H56N3O.Pt/c1-35-20-23-37(24-21-35)39-26-27-57-48(32-39)41-29-40(30-42(31-41)54(3,4)5)44-18-15-19-50-51(44)58-53(46-33-43(55(6,7)8)34-47(52(46)60)56(9,10)11)59(50)49-25-22-36(2)28-45(49)38-16-13-12-14-17-38;/h12-28,30-34,60H,1-11H3;/q-1;/i1D3,2D3,20D,21D,23D,24D;.

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

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-phenyl-4-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 992.22 g/mol, XLogP of 14.77, 8 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-[4-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[2-phenyl-4-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 153478483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).