2-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum

C56H56N3OPt- — CID 153479649

About 2-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum

2-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum (PubChem CID 153479649) has the molecular formula C56H56N3OPt- and a molecular weight of 998.26 g/mol. Its IUPAC name is 2-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum.

Molecular Properties

• Compound Name: 2-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum
• PubChem CID: 153479649
• Molecular Formula: C56H56N3OPt-
• Molecular Weight: 998.26 g/mol
• Exact Mass: 997.51
• IUPAC Name: 2-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]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(-c4ccccc4)c(C(C)(C)C)c3)cc(C(C)(C)C)c2)c([2H])c(-c2c([2H])c([2H])c(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c2[2H])c1[2H].[Pt]
• InChI: InChI=1S/C56H56N3O.Pt/c1-35-28-36(2)52(60)47(29-35)53-58-51-46(18-15-19-50(51)59(53)44-24-25-45(38-16-13-12-14-17-38)48(34-44)56(9,10)11)40-30-41(32-43(31-40)55(6,7)8)49-33-39(26-27-57-49)37-20-22-42(23-21-37)54(3,4)5;/h12-29,31-34,60H,1-11H3;/q-1;/i3D3,4D3,5D3,20D,21D,22D,23D,26D,27D,33D
• InChIKey: FCOIIONRSKQYFI-PPIWFAGZSA-N
• XLogP: 14.77
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	998.26
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-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum?

The IUPAC name of 2-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum (CID 153479649) is 2-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum.

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

The canonical SMILES for 2-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]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(-c4ccccc4)c(C(C)(C)C)c3)cc(C(C)(C)C)c2)c([2H])c(-c2c([2H])c([2H])c(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c2[2H])c1[2H].[Pt].

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

The InChIKey is FCOIIONRSKQYFI-PPIWFAGZSA-N. The full InChI is InChI=1S/C56H56N3O.Pt/c1-35-28-36(2)52(60)47(29-35)53-58-51-46(18-15-19-50(51)59(53)44-24-25-45(38-16-13-12-14-17-38)48(34-44)56(9,10)11)40-30-41(32-43(31-40)55(6,7)8)49-33-39(26-27-57-49)37-20-22-42(23-21-37)54(3,4)5;/h12-29,31-34,60H,1-11H3;/q-1;/i3D3,4D3,5D3,20D,21D,22D,23D,26D,27D,33D;.

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

2-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum has a molecular weight of 998.26 g/mol, XLogP of 14.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(3-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-[3,5,6-trideuterio-4-[2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum is sourced from PubChem (CID 153479649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).