2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5-pentan-3-ylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

C59H62N3OPt- — CID 167356309

About 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5-pentan-3-ylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5-pentan-3-ylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 167356309) has the molecular formula C59H62N3OPt- and a molecular weight of 1029.27 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5-pentan-3-ylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5-pentan-3-ylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 167356309
• Molecular Formula: C59H62N3OPt-
• Molecular Weight: 1029.27 g/mol
• Exact Mass: 1028.49
• IUPAC Name: 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5-pentan-3-ylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)n5-c4ccc(C(C)(C)C)cc4-c4ccccc4)cc(C(CC)CC)c3)c2)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C59H62N3O.Pt/c1-12-38(13-2)42-31-43(33-44(32-42)51-34-41(29-30-60-51)39-21-16-14-17-22-39)47-25-20-26-53-54(47)61-56(49-36-46(58(6,7)8)37-50(55(49)63)59(9,10)11)62(53)52-28-27-45(57(3,4)5)35-48(52)40-23-18-15-19-24-40;/h14-32,34-38,63H,12-13H2,1-11H3;/q-1;/i14D,16D,17D,21D,22D
• InChIKey: AMLIPAIILSWIKT-UWHITVSNSA-N
• XLogP: 16.05
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1029.27
LogP ≤ 5	16.05
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-tert-butyl-2-phenylphenyl)-4-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5-pentan-3-ylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5-pentan-3-ylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 167356309) is 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5-pentan-3-ylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5-pentan-3-ylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5-pentan-3-ylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is [2H]c1c([2H])c([2H])c(-c2ccnc(-c3[c-]c(-c4cccc5c4nc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)n5-c4ccc(C(C)(C)C)cc4-c4ccccc4)cc(C(CC)CC)c3)c2)c([2H])c1[2H].[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5-pentan-3-ylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The InChIKey is AMLIPAIILSWIKT-UWHITVSNSA-N. The full InChI is InChI=1S/C59H62N3O.Pt/c1-12-38(13-2)42-31-43(33-44(32-42)51-34-41(29-30-60-51)39-21-16-14-17-22-39)47-25-20-26-53-54(47)61-56(49-36-46(58(6,7)8)37-50(55(49)63)59(9,10)11)62(53)52-28-27-45(57(3,4)5)35-48(52)40-23-18-15-19-24-40;/h14-32,34-38,63H,12-13H2,1-11H3;/q-1;/i14D,16D,17D,21D,22D;.

What are the key properties of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5-pentan-3-ylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5-pentan-3-ylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1029.27 g/mol, XLogP of 16.05, 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-tert-butyl-2-phenylphenyl)-4-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-5-pentan-3-ylbenzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 167356309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).