2,4-ditert-butyl-6-[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-methyl-2,5-diphenylphenyl)benzimidazol-2-yl]phenol;platinum

C61H58N3OPt- — CID 164701701

About 2,4-ditert-butyl-6-[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-methyl-2,5-diphenylphenyl)benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-methyl-2,5-diphenylphenyl)benzimidazol-2-yl]phenol;platinum (PubChem CID 164701701) has the molecular formula C61H58N3OPt- and a molecular weight of 1052.28 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[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-methyl-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-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-methyl-2,5-diphenylphenyl)benzimidazol-2-yl]phenol;platinum
• PubChem CID: 164701701
• Molecular Formula: C61H58N3OPt-
• Molecular Weight: 1052.28 g/mol
• Exact Mass: 1051.47
• IUPAC Name: 2,4-ditert-butyl-6-[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-methyl-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)cc3-c3ccccc3)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/C61H58N3O.Pt/c1-39-31-50(42-25-18-13-19-26-42)55(38-49(39)41-23-16-12-17-24-41)64-54-28-20-27-48(56(54)63-58(64)51-36-47(60(5,6)7)37-52(57(51)65)61(8,9)10)44-32-45(34-46(33-44)59(2,3)4)53-35-43(29-30-62-53)40-21-14-11-15-22-40;/h11-31,33-38,65H,1-10H3;/q-1;/i11D,14D,15D,21D,22D,29D,30D,35D
• InChIKey: VLVNKICQTLLABL-NFBOLALGSA-N
• XLogP: 16.13
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1052.28
LogP ≤ 5	16.13
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-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-methyl-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-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-methyl-2,5-diphenylphenyl)benzimidazol-2-yl]phenol;platinum (CID 164701701) is 2,4-ditert-butyl-6-[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-methyl-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-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-methyl-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-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-methyl-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)cc3-c3ccccc3)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-ditert-butyl-6-[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-methyl-2,5-diphenylphenyl)benzimidazol-2-yl]phenol;platinum?

The InChIKey is VLVNKICQTLLABL-NFBOLALGSA-N. The full InChI is InChI=1S/C61H58N3O.Pt/c1-39-31-50(42-25-18-13-19-26-42)55(38-49(39)41-23-16-12-17-24-41)64-54-28-20-27-48(56(54)63-58(64)51-36-47(60(5,6)7)37-52(57(51)65)61(8,9)10)44-32-45(34-46(33-44)59(2,3)4)53-35-43(29-30-62-53)40-21-14-11-15-22-40;/h11-31,33-38,65H,1-10H3;/q-1;/i11D,14D,15D,21D,22D,29D,30D,35D;.

What are the key properties of 2,4-ditert-butyl-6-[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-methyl-2,5-diphenylphenyl)benzimidazol-2-yl]phenol;platinum?

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-methyl-2,5-diphenylphenyl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 1052.28 g/mol, XLogP of 16.13, 7 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-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(4-methyl-2,5-diphenylphenyl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 164701701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).