2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum

C61H66N3OPt- — CID 171752442

About 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 171752442) has the molecular formula C61H66N3OPt- and a molecular weight of 1052.30 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 171752442
• Molecular Formula: C61H66N3OPt-
• Molecular Weight: 1052.30 g/mol
• Exact Mass: 1051.49
• IUPAC Name: 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)c1cc(C(C)(C)C)cc(-c2ccccc2)c1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)cc(C(C)(C)C)c3)cccc21.[Pt]
• InChI: InChI=1S/C61H66N3O.Pt/c1-38(2)48-34-45(59(6,7)8)35-49(40-24-19-16-20-25-40)55(48)64-53-27-21-26-47(54(53)63-57(64)50-36-46(60(9,10)11)37-51(56(50)65)61(12,13)14)42-30-43(32-44(31-42)58(3,4)5)52-33-41(28-29-62-52)39-22-17-15-18-23-39;/h15-29,31-38,65H,1-14H3;/q-1
• InChIKey: ADGWRMRIAYHKLH-UHFFFAOYSA-N
• XLogP: 16.57
• 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	1052.30
LogP ≤ 5	16.57
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-phenyl-6-propan-2-ylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 171752442) is 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)-4-[3-tert-butyl-5-(4-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-tert-butyl-2-phenyl-6-propan-2-ylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is CC(C)c1cc(C(C)(C)C)cc(-c2ccccc2)c1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4cc(-c5ccccc5)ccn4)cc(C(C)(C)C)c3)cccc21.[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The InChIKey is ADGWRMRIAYHKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H66N3O.Pt/c1-38(2)48-34-45(59(6,7)8)35-49(40-24-19-16-20-25-40)55(48)64-53-27-21-26-47(54(53)63-57(64)50-36-46(60(9,10)11)37-51(56(50)65)61(12,13)14)42-30-43(32-44(31-42)58(3,4)5)52-33-41(28-29-62-52)39-22-17-15-18-23-39;/h15-29,31-38,65H,1-14H3;/q-1;.

What are the key properties of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?

2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1052.30 g/mol, XLogP of 16.57, 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-[1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 171752442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).