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

C55H54N3OPt- — CID 153476494

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

2-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum (PubChem CID 153476494) has the molecular formula C55H54N3OPt- and a molecular weight of 979.20 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 153476494
• Molecular Formula: C55H54N3OPt-
• Molecular Weight: 979.20 g/mol
• Exact Mass: 978.46
• IUPAC Name: 2-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum
• SMILES: [2H]c1nc(-c2[c-]c(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc3C([2H])([2H])[2H])cc(C(C)(C)C)c2)c([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c1[2H].[Pt]
• InChI: InChI=1S/C55H54N3O.Pt/c1-35-27-37(39-29-43(54(5,6)7)34-44(30-39)55(8,9)10)23-24-48(35)58-49-21-16-20-45(51(49)57-52(58)46-19-14-15-22-50(46)59)40-28-41(32-42(31-40)53(2,3)4)47-33-38(25-26-56-47)36-17-12-11-13-18-36;/h11-27,29-34,59H,1-10H3;/q-1;/i1D3,11D,12D,13D,17D,18D,25D,26D,33D
• InChIKey: KHVKYFHQIDERJM-XIGCNJGZSA-N
• XLogP: 14.46
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	979.20
LogP ≤ 5	14.46
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-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum (CID 153476494) is 2-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum is [2H]c1nc(-c2[c-]c(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc3C([2H])([2H])[2H])cc(C(C)(C)C)c2)c([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c1[2H].[Pt].

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

The InChIKey is KHVKYFHQIDERJM-XIGCNJGZSA-N. The full InChI is InChI=1S/C55H54N3O.Pt/c1-35-27-37(39-29-43(54(5,6)7)34-44(30-39)55(8,9)10)23-24-48(35)58-49-21-16-20-45(51(49)57-52(58)46-19-14-15-22-50(46)59)40-28-41(32-42(31-40)53(2,3)4)47-33-38(25-26-56-47)36-17-12-11-13-18-36;/h11-27,29-34,59H,1-10H3;/q-1;/i1D3,11D,12D,13D,17D,18D,25D,26D,33D;.

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

2-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 979.20 g/mol, XLogP of 14.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(3,5-ditert-butylphenyl)-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 153476494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).