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-methylpropyl)-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum

C59H62N3OPt- — CID 164701694

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-methylpropyl)-2-phenylphenyl]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-methylpropyl)-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum (PubChem CID 164701694) has the molecular formula C59H62N3OPt- and a molecular weight of 1031.29 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-methylpropyl)-2-phenylphenyl]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-methylpropyl)-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 164701694
• Molecular Formula: C59H62N3OPt-
• Molecular Weight: 1031.29 g/mol
• Exact Mass: 1030.50
• 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-methylpropyl)-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum
• SMILES: [2H]c1nc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3ccc(CC(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/C59H62N3O.Pt/c1-37(2)29-39-23-26-52(48(30-39)41-17-14-13-15-18-41)62-53-20-16-19-47(54(53)61-56(62)49-35-46(58(7,8)9)36-50(55(49)63)59(10,11)12)43-31-44(33-45(32-43)57(4,5)6)51-34-42(27-28-60-51)40-24-21-38(3)22-25-40;/h13-28,30,32-37,63H,29H2,1-12H3;/q-1;/i21D,22D,24D,25D,27D,28D,34D
• InChIKey: KZZIPGKNFLWVMA-YHDYOQSVSA-N
• XLogP: 15.66
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1031.29
LogP ≤ 5	15.66
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-methylpropyl)-2-phenylphenyl]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-methylpropyl)-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum (CID 164701694) 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-methylpropyl)-2-phenylphenyl]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-methylpropyl)-2-phenylphenyl]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-methylpropyl)-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum is [2H]c1nc(-c2[c-]c(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3ccc(CC(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-methylpropyl)-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum?

The InChIKey is KZZIPGKNFLWVMA-YHDYOQSVSA-N. The full InChI is InChI=1S/C59H62N3O.Pt/c1-37(2)29-39-23-26-52(48(30-39)41-17-14-13-15-18-41)62-53-20-16-19-47(54(53)61-56(62)49-35-46(58(7,8)9)36-50(55(49)63)59(10,11)12)43-31-44(33-45(32-43)57(4,5)6)51-34-42(27-28-60-51)40-24-21-38(3)22-25-40;/h13-28,30,32-37,63H,29H2,1-12H3;/q-1;/i21D,22D,24D,25D,27D,28D,34D;.

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-methylpropyl)-2-phenylphenyl]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-methylpropyl)-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1031.29 g/mol, XLogP of 15.66, 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-methylpropyl)-2-phenylphenyl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 164701694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).