2-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum

C57H42N3OPt- — CID 153479186

About 2-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum

2-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum (PubChem CID 153479186) has the molecular formula C57H42N3OPt- and a molecular weight of 983.08 g/mol. Its IUPAC name is 2-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum.

Molecular Properties

• Compound Name: 2-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum
• PubChem CID: 153479186
• Molecular Formula: C57H42N3OPt-
• Molecular Weight: 983.08 g/mol
• Exact Mass: 982.32
• IUPAC Name: 2-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum
• SMILES: [2H]C([2H])([2H])c1cc(-c2ccccc2)c(-n2c(-c3cc(C)cc(C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc(-c5ccccc5)c4)cccc32)cc1-c1ccccc1.[Pt]
• InChI: InChI=1S/C57H42N3O.Pt/c1-37-29-39(3)56(61)51(30-37)57-59-55-48(46-32-45(41-19-10-5-11-20-41)33-47(34-46)52-35-44(27-28-58-52)40-17-8-4-9-18-40)25-16-26-53(55)60(57)54-36-49(42-21-12-6-13-22-42)38(2)31-50(54)43-23-14-7-15-24-43;/h4-33,35-36,61H,1-3H3;/q-1;/i2D3
• InChIKey: CSMDQWQODLSGSF-MUTAZJQDSA-N
• XLogP: 14.52
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	983.08
LogP ≤ 5	14.52
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-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum?

The IUPAC name of 2-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum (CID 153479186) is 2-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum.

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

The canonical SMILES for 2-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum is [2H]C([2H])([2H])c1cc(-c2ccccc2)c(-n2c(-c3cc(C)cc(C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc(-c5ccccc5)c4)cccc32)cc1-c1ccccc1.[Pt].

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

The InChIKey is CSMDQWQODLSGSF-MUTAZJQDSA-N. The full InChI is InChI=1S/C57H42N3O.Pt/c1-37-29-39(3)56(61)51(30-37)57-59-55-48(46-32-45(41-19-10-5-11-20-41)33-47(34-46)52-35-44(27-28-58-52)40-17-8-4-9-18-40)25-16-26-53(55)60(57)54-36-49(42-21-12-6-13-22-42)38(2)31-50(54)43-23-14-7-15-24-43;/h4-33,35-36,61H,1-3H3;/q-1;/i2D3;.

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

2-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum has a molecular weight of 983.08 g/mol, XLogP of 14.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-dimethylphenol;platinum is sourced from PubChem (CID 153479186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).