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

C64H64N3OPt- — CID 164701534

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

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]benzimidazol-2-yl]phenol;platinum (PubChem CID 164701534) has the molecular formula C64H64N3OPt- and a molecular weight of 1094.36 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 164701534
• Molecular Formula: C64H64N3OPt-
• Molecular Weight: 1094.36 g/mol
• Exact Mass: 1093.52
• IUPAC Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]benzimidazol-2-yl]phenol;platinum
• SMILES: [2H]c1nc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3cc(-c4ccccc4)c(C([2H])(C)C)cc3-c3ccccc3)cc(C(C)(C)C)c2)c([2H])c(-c2c([2H])c([2H])c(C)c([2H])c2[2H])c1[2H].[Pt]
• InChI: InChI=1S/C64H64N3O.Pt/c1-40(2)51-38-53(44-22-17-14-18-23-44)58(39-52(51)43-20-15-13-16-21-43)67-57-25-19-24-50(59(57)66-61(67)54-36-49(63(7,8)9)37-55(60(54)68)64(10,11)12)46-32-47(34-48(33-46)62(4,5)6)56-35-45(30-31-65-56)42-28-26-41(3)27-29-42;/h13-31,33-40,68H,1-12H3;/q-1;/i26D,27D,28D,29D,30D,31D,35D,40D
• InChIKey: QEEATAHDUMBYLI-FXODAHKLSA-N
• XLogP: 17.25
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1094.36
LogP ≤ 5	17.25
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-[3,5,6-trideuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]benzimidazol-2-yl]phenol;platinum (CID 164701534) is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]benzimidazol-2-yl]phenol;platinum is [2H]c1nc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3cc(-c4ccccc4)c(C([2H])(C)C)cc3-c3ccccc3)cc(C(C)(C)C)c2)c([2H])c(-c2c([2H])c([2H])c(C)c([2H])c2[2H])c1[2H].[Pt].

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

The InChIKey is QEEATAHDUMBYLI-FXODAHKLSA-N. The full InChI is InChI=1S/C64H64N3O.Pt/c1-40(2)51-38-53(44-22-17-14-18-23-44)58(39-52(51)43-20-15-13-16-21-43)67-57-25-19-24-50(59(57)66-61(67)54-36-49(63(7,8)9)37-55(60(54)68)64(10,11)12)46-32-47(34-48(33-46)62(4,5)6)56-35-45(30-31-65-56)42-28-26-41(3)27-29-42;/h13-31,33-40,68H,1-12H3;/q-1;/i26D,27D,28D,29D,30D,31D,35D,40D;.

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

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1094.36 g/mol, XLogP of 17.25, 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-[3,5,6-trideuterio-4-(2,3,5,6-tetradeuterio-4-methylphenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 164701534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).