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

C58H60N3OPt- — CID 167332118

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

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]phenol;platinum (PubChem CID 167332118) has the molecular formula C58H60N3OPt- and a molecular weight of 1015.25 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]phenol;platinum
• PubChem CID: 167332118
• Molecular Formula: C58H60N3OPt-
• Molecular Weight: 1015.25 g/mol
• Exact Mass: 1014.47
• IUPAC Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-tert-butyl-4-phenylphenyl)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(-c5ccccc5)cc4C(C)(C)C)cc(C(C)(C)C)c3)c2)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C58H60N3O.Pt/c1-55(2,3)43-31-41(30-42(32-43)49-34-40(28-29-59-49)38-22-17-14-18-23-38)45-24-19-25-51-52(45)60-54(46-35-44(56(4,5)6)36-48(53(46)62)58(10,11)12)61(51)50-27-26-39(33-47(50)57(7,8)9)37-20-15-13-16-21-37;/h13-29,31-36,62H,1-12H3;/q-1;/i14D,17D,18D,22D,23D
• InChIKey: WMGOLBBRVVTVRS-IZIUNUBXSA-N
• XLogP: 15.45
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1015.25
LogP ≤ 5	15.45
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-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]phenol;platinum (CID 167332118) is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]phenol;platinum.

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

The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-tert-butyl-4-phenylphenyl)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(-c5ccccc5)cc4C(C)(C)C)cc(C(C)(C)C)c3)c2)c([2H])c1[2H].[Pt].

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

The InChIKey is WMGOLBBRVVTVRS-IZIUNUBXSA-N. The full InChI is InChI=1S/C58H60N3O.Pt/c1-55(2,3)43-31-41(30-42(32-43)49-34-40(28-29-59-49)38-22-17-14-18-23-38)45-24-19-25-51-52(45)60-54(46-35-44(56(4,5)6)36-48(53(46)62)58(10,11)12)61(51)50-27-26-39(33-47(50)57(7,8)9)37-20-15-13-16-21-37;/h13-29,31-36,62H,1-12H3;/q-1;/i14D,17D,18D,22D,23D;.

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

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 1015.25 g/mol, XLogP of 15.45, 6 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-[4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]benzene-6-id-1-yl]-1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 167332118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).