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

C58H60N3OPt- — CID 153477657

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

2-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[2-(2-deuteriopropan-2-yl)-6-propan-2-ylphenyl]-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum (PubChem CID 153477657) has the molecular formula C58H60N3OPt- and a molecular weight of 1015.25 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[2-(2-deuteriopropan-2-yl)-6-propan-2-ylphenyl]-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[2-(2-deuteriopropan-2-yl)-6-propan-2-ylphenyl]-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum
• PubChem CID: 153477657
• Molecular Formula: C58H60N3OPt-
• Molecular Weight: 1015.25 g/mol
• Exact Mass: 1014.47
• IUPAC Name: 2-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[2-(2-deuteriopropan-2-yl)-6-propan-2-ylphenyl]-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum
• SMILES: [2H]C([2H])([2H])c1cc(-c2c(C(C)C)cccc2C([2H])(C)C)ccc1-n1c(-c2cc(C)cc(C)c2O)nc2c(-c3[c-]c(-c4cc(-c5ccc(C([2H])(C)C)cc5)ccn4)cc(C(C)(C)C)c3)cccc21.[Pt]
• InChI: InChI=1S/C58H60N3O.Pt/c1-34(2)40-19-21-41(22-20-40)42-25-26-59-51(33-42)45-30-44(31-46(32-45)58(10,11)12)49-17-14-18-53-55(49)60-57(50-28-37(7)27-39(9)56(50)62)61(53)52-24-23-43(29-38(52)8)54-47(35(3)4)15-13-16-48(54)36(5)6;/h13-29,31-36,62H,1-12H3;/q-1;/i8D3,34D,35D
• InChIKey: FRJZUUVCUORPHU-YBPCYELASA-N
• XLogP: 15.85
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1015.25
LogP ≤ 5	15.85
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-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[2-(2-deuteriopropan-2-yl)-6-propan-2-ylphenyl]-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum?

The IUPAC name of 2-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[2-(2-deuteriopropan-2-yl)-6-propan-2-ylphenyl]-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum (CID 153477657) is 2-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[2-(2-deuteriopropan-2-yl)-6-propan-2-ylphenyl]-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum.

What is the SMILES notation for 2-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[2-(2-deuteriopropan-2-yl)-6-propan-2-ylphenyl]-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum?

The canonical SMILES for 2-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[2-(2-deuteriopropan-2-yl)-6-propan-2-ylphenyl]-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum is [2H]C([2H])([2H])c1cc(-c2c(C(C)C)cccc2C([2H])(C)C)ccc1-n1c(-c2cc(C)cc(C)c2O)nc2c(-c3[c-]c(-c4cc(-c5ccc(C([2H])(C)C)cc5)ccn4)cc(C(C)(C)C)c3)cccc21.[Pt].

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

The InChIKey is FRJZUUVCUORPHU-YBPCYELASA-N. The full InChI is InChI=1S/C58H60N3O.Pt/c1-34(2)40-19-21-41(22-20-40)42-25-26-59-51(33-42)45-30-44(31-46(32-45)58(10,11)12)49-17-14-18-53-55(49)60-57(50-28-37(7)27-39(9)56(50)62)61(53)52-24-23-43(29-38(52)8)54-47(35(3)4)15-13-16-48(54)36(5)6;/h13-29,31-36,62H,1-12H3;/q-1;/i8D3,34D,35D;.

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

2-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[2-(2-deuteriopropan-2-yl)-6-propan-2-ylphenyl]-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum has a molecular weight of 1015.25 g/mol, XLogP of 15.85, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]benzene-6-id-1-yl]-1-[4-[2-(2-deuteriopropan-2-yl)-6-propan-2-ylphenyl]-2-(trideuteriomethyl)phenyl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum is sourced from PubChem (CID 153477657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).