bis(1,4-dimethyl-2H-imidazol-2-ide);bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);platinum

C38H38N8Pt2-6 — CID 172514289

About bis(1,4-dimethyl-2H-imidazol-2-ide);bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);platinum

bis(1,4-dimethyl-2H-imidazol-2-ide);bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);platinum (PubChem CID 172514289) has the molecular formula C38H38N8Pt2-6 and a molecular weight of 996.93 g/mol. Its IUPAC name is bis(1,4-dimethyl-2H-imidazol-2-ide);bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);platinum.

Molecular Properties

• Compound Name: bis(1,4-dimethyl-2H-imidazol-2-ide);bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);platinum
• PubChem CID: 172514289
• Molecular Formula: C38H38N8Pt2-6
• Molecular Weight: 996.93 g/mol
• Exact Mass: 996.25
• IUPAC Name: bis(1,4-dimethyl-2H-imidazol-2-ide);bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);platinum
• SMILES: CN1[CH-]N(c2[c-]cccc2)c2ccccc21.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.Cc1cn(C)[c-]n1.Cc1cn(C)[c-]n1.[Pt].[Pt]
• InChI: InChI=1S/2C14H12N2.2C5H7N2.2Pt/c2*1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;2*1-5-3-7(2)4-6-5;;/h2*2-7,9-11H,1H3;2*3H,1-2H3;;/q2*-2;2*-1
• InChIKey: YWSDBBBEHGBXQD-UHFFFAOYSA-N
• XLogP: 7.44
• TPSA: 48.60 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	996.93
LogP ≤ 5	7.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(1,4-dimethyl-2H-imidazol-2-ide);bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);platinum?

The IUPAC name of bis(1,4-dimethyl-2H-imidazol-2-ide);bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);platinum (CID 172514289) is bis(1,4-dimethyl-2H-imidazol-2-ide);bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);platinum.

What is the SMILES notation for bis(1,4-dimethyl-2H-imidazol-2-ide);bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);platinum?

The canonical SMILES for bis(1,4-dimethyl-2H-imidazol-2-ide);bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);platinum is CN1[CH-]N(c2[c-]cccc2)c2ccccc21.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.Cc1cn(C)[c-]n1.Cc1cn(C)[c-]n1.[Pt].[Pt].

What is the InChIKey of bis(1,4-dimethyl-2H-imidazol-2-ide);bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);platinum?

The InChIKey is YWSDBBBEHGBXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H12N2.2C5H7N2.2Pt/c2*1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;2*1-5-3-7(2)4-6-5;;/h2*2-7,9-11H,1H3;2*3H,1-2H3;;/q2*-2;2*-1;;.

What are the key properties of bis(1,4-dimethyl-2H-imidazol-2-ide);bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);platinum?

bis(1,4-dimethyl-2H-imidazol-2-ide);bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);platinum has a molecular weight of 996.93 g/mol, XLogP of 7.44, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,4-dimethyl-2H-imidazol-2-ide);bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);platinum is sourced from PubChem (CID 172514289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).