2,4-ditert-butyl-6-[1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-4-[3-phenyl-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]phenol;platinum

C69H66N3OPt- — CID 153478493

About 2,4-ditert-butyl-6-[1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-4-[3-phenyl-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]phenol;platinum

2,4-ditert-butyl-6-[1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-4-[3-phenyl-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]phenol;platinum (PubChem CID 153478493) has the molecular formula C69H66N3OPt- and a molecular weight of 1165.49 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-4-[3-phenyl-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]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-4-[3-phenyl-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]phenol;platinum
• PubChem CID: 153478493
• Molecular Formula: C69H66N3OPt-
• Molecular Weight: 1165.49 g/mol
• Exact Mass: 1164.59
• IUPAC Name: 2,4-ditert-butyl-6-[1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-4-[3-phenyl-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]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(-c3ccccc3)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/C69H66N3O.Pt/c1-44(2)56-42-58(48-26-19-14-20-27-48)63(43-57(56)47-24-17-13-18-25-47)72-62-29-21-28-55(64(62)71-66(72)59-40-54(68(6,7)8)41-60(65(59)73)69(9,10)11)51-36-50(45-22-15-12-16-23-45)37-52(38-51)61-39-49(34-35-70-61)46-30-32-53(33-31-46)67(3,4)5;/h12-37,39-44,73H,1-11H3;/q-1;/i3D3,4D3,5D3,30D,31D,32D,33D,34D,35D,39D,44D
• InChIKey: VGHVRZVSQHZDEY-UMRVVBPTSA-N
• XLogP: 18.61
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1165.49
LogP ≤ 5	18.61
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-[1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-4-[3-phenyl-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]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-4-[3-phenyl-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]phenol;platinum (CID 153478493) is 2,4-ditert-butyl-6-[1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-4-[3-phenyl-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]phenol;platinum.

What is the SMILES notation for 2,4-ditert-butyl-6-[1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-4-[3-phenyl-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]phenol;platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-4-[3-phenyl-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]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(-c3ccccc3)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 2,4-ditert-butyl-6-[1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-4-[3-phenyl-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]phenol;platinum?

The InChIKey is VGHVRZVSQHZDEY-UMRVVBPTSA-N. The full InChI is InChI=1S/C69H66N3O.Pt/c1-44(2)56-42-58(48-26-19-14-20-27-48)63(43-57(56)47-24-17-13-18-25-47)72-62-29-21-28-55(64(62)71-66(72)59-40-54(68(6,7)8)41-60(65(59)73)69(9,10)11)51-36-50(45-22-15-12-16-23-45)37-52(38-51)61-39-49(34-35-70-61)46-30-32-53(33-31-46)67(3,4)5;/h12-37,39-44,73H,1-11H3;/q-1;/i3D3,4D3,5D3,30D,31D,32D,33D,34D,35D,39D,44D;.

What are the key properties of 2,4-ditert-butyl-6-[1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-4-[3-phenyl-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]phenol;platinum?

2,4-ditert-butyl-6-[1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-4-[3-phenyl-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]phenol;platinum has a molecular weight of 1165.49 g/mol, XLogP of 18.61, 9 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-[1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-4-[3-phenyl-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]phenol;platinum is sourced from PubChem (CID 153478493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).