5-(2,2-dimethylpropyl)-4-[2-[5-(2,2-dimethylpropyl)-1-methyl-2-phenylimidazol-4-yl]propan-2-yl]-1-methyl-2-phenylimidazole;platinum(2+)

C33H42N4Pt — CID 58161840

About 5-(2,2-dimethylpropyl)-4-[2-[5-(2,2-dimethylpropyl)-1-methyl-2-phenylimidazol-4-yl]propan-2-yl]-1-methyl-2-phenylimidazole;platinum(2+)

5-(2,2-dimethylpropyl)-4-[2-[5-(2,2-dimethylpropyl)-1-methyl-2-phenylimidazol-4-yl]propan-2-yl]-1-methyl-2-phenylimidazole;platinum(2+) (PubChem CID 58161840) has the molecular formula C33H42N4Pt and a molecular weight of 689.81 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-4-[2-[5-(2,2-dimethylpropyl)-1-methyl-2-phenylimidazol-4-yl]propan-2-yl]-1-methyl-2-phenylimidazole;platinum(2+).

Molecular Properties

• Compound Name: 5-(2,2-dimethylpropyl)-4-[2-[5-(2,2-dimethylpropyl)-1-methyl-2-phenylimidazol-4-yl]propan-2-yl]-1-methyl-2-phenylimidazole;platinum(2+)
• PubChem CID: 58161840
• Molecular Formula: C33H42N4Pt
• Molecular Weight: 689.81 g/mol
• Exact Mass: 689.31
• IUPAC Name: 5-(2,2-dimethylpropyl)-4-[2-[5-(2,2-dimethylpropyl)-1-methyl-2-phenylimidazol-4-yl]propan-2-yl]-1-methyl-2-phenylimidazole;platinum(2+)
• SMILES: Cn1c(-c2[c-]cccc2)nc(C(C)(C)c2nc(-c3[c-]cccc3)n(C)c2CC(C)(C)C)c1CC(C)(C)C.[Pt+2]
• InChI: InChI=1S/C33H42N4.Pt/c1-31(2,3)21-25-27(34-29(36(25)9)23-17-13-11-14-18-23)33(7,8)28-26(22-32(4,5)6)37(10)30(35-28)24-19-15-12-16-20-24;/h11-17,19H,21-22H2,1-10H3;/q-2;+2
• InChIKey: AYCKSSUKOZHYJY-UHFFFAOYSA-N
• XLogP: 7.59
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	689.81
LogP ≤ 5	7.59
H-Bond Donors ≤ 5	0
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 5-(2,2-dimethylpropyl)-4-[2-[5-(2,2-dimethylpropyl)-1-methyl-2-phenylimidazol-4-yl]propan-2-yl]-1-methyl-2-phenylimidazole;platinum(2+)?

The IUPAC name of 5-(2,2-dimethylpropyl)-4-[2-[5-(2,2-dimethylpropyl)-1-methyl-2-phenylimidazol-4-yl]propan-2-yl]-1-methyl-2-phenylimidazole;platinum(2+) (CID 58161840) is 5-(2,2-dimethylpropyl)-4-[2-[5-(2,2-dimethylpropyl)-1-methyl-2-phenylimidazol-4-yl]propan-2-yl]-1-methyl-2-phenylimidazole;platinum(2+).

What is the SMILES notation for 5-(2,2-dimethylpropyl)-4-[2-[5-(2,2-dimethylpropyl)-1-methyl-2-phenylimidazol-4-yl]propan-2-yl]-1-methyl-2-phenylimidazole;platinum(2+)?

The canonical SMILES for 5-(2,2-dimethylpropyl)-4-[2-[5-(2,2-dimethylpropyl)-1-methyl-2-phenylimidazol-4-yl]propan-2-yl]-1-methyl-2-phenylimidazole;platinum(2+) is Cn1c(-c2[c-]cccc2)nc(C(C)(C)c2nc(-c3[c-]cccc3)n(C)c2CC(C)(C)C)c1CC(C)(C)C.[Pt+2].

What is the InChIKey of 5-(2,2-dimethylpropyl)-4-[2-[5-(2,2-dimethylpropyl)-1-methyl-2-phenylimidazol-4-yl]propan-2-yl]-1-methyl-2-phenylimidazole;platinum(2+)?

The InChIKey is AYCKSSUKOZHYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N4.Pt/c1-31(2,3)21-25-27(34-29(36(25)9)23-17-13-11-14-18-23)33(7,8)28-26(22-32(4,5)6)37(10)30(35-28)24-19-15-12-16-20-24;/h11-17,19H,21-22H2,1-10H3;/q-2;+2.

What are the key properties of 5-(2,2-dimethylpropyl)-4-[2-[5-(2,2-dimethylpropyl)-1-methyl-2-phenylimidazol-4-yl]propan-2-yl]-1-methyl-2-phenylimidazole;platinum(2+)?

5-(2,2-dimethylpropyl)-4-[2-[5-(2,2-dimethylpropyl)-1-methyl-2-phenylimidazol-4-yl]propan-2-yl]-1-methyl-2-phenylimidazole;platinum(2+) has a molecular weight of 689.81 g/mol, XLogP of 7.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,2-dimethylpropyl)-4-[2-[5-(2,2-dimethylpropyl)-1-methyl-2-phenylimidazol-4-yl]propan-2-yl]-1-methyl-2-phenylimidazole;platinum(2+) is sourced from PubChem (CID 58161840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).