Dichloroplatinum;[2-(diphenylphosphaniumylmethyl)-2-methyl-5-trimethylsilylpent-4-ynyl]-diphenylphosphanium

C₃₄H₄₀Cl₂P₂PtSi+2 — CID 6394462

About Dichloroplatinum;[2-(diphenylphosphaniumylmethyl)-2-methyl-5-trimethylsilylpent-4-ynyl]-diphenylphosphanium

Dichloroplatinum;[2-(diphenylphosphaniumylmethyl)-2-methyl-5-trimethylsilylpent-4-ynyl]-diphenylphosphanium (PubChem CID 6394462) has the molecular formula C₃₄H₄₀Cl₂P₂PtSi+2 and a molecular weight of 804.71 g/mol. Its IUPAC name is dichloroplatinum;[2-(diphenylphosphaniumylmethyl)-2-methyl-5-trimethylsilylpent-4-ynyl]-diphenylphosphanium.

Molecular Properties

• Compound Name: Dichloroplatinum;[2-(diphenylphosphaniumylmethyl)-2-methyl-5-trimethylsilylpent-4-ynyl]-diphenylphosphanium
• PubChem CID: 6394462
• Molecular Formula: C₃₄H₄₀Cl₂P₂PtSi+2
• Molecular Weight: 804.71 g/mol
• Exact Mass: 803.14
• IUPAC Name: dichloroplatinum;[2-(diphenylphosphaniumylmethyl)-2-methyl-5-trimethylsilylpent-4-ynyl]-diphenylphosphanium
• SMILES: CC(CC#C[Si](C)(C)C)(C[PH+](c1ccccc1)c1ccccc1)C[PH+](c1ccccc1)c1ccccc1.Cl[Pt]Cl
• InChI: InChI=1S/C34H38P2Si.2ClH.Pt/c1-34(26-17-27-37(2,3)4,28-35(30-18-9-5-10-19-30)31-20-11-6-12-21-31)29-36(32-22-13-7-14-23-32)33-24-15-8-16-25-33;;;/h5-16,18-25H,26,28-29H2,1-4H3;2*1H;/q;;;+2
• InChIKey: PRHUIEFKOVZGIQ-UHFFFAOYSA-N
• XLogP: 8.37
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	804.71
LogP ≤ 5	8.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Dichloroplatinum;[2-(diphenylphosphaniumylmethyl)-2-methyl-5-trimethylsilylpent-4-ynyl]-diphenylphosphanium?

The IUPAC name of Dichloroplatinum;[2-(diphenylphosphaniumylmethyl)-2-methyl-5-trimethylsilylpent-4-ynyl]-diphenylphosphanium (CID 6394462) is dichloroplatinum;[2-(diphenylphosphaniumylmethyl)-2-methyl-5-trimethylsilylpent-4-ynyl]-diphenylphosphanium.

What is the SMILES notation for Dichloroplatinum;[2-(diphenylphosphaniumylmethyl)-2-methyl-5-trimethylsilylpent-4-ynyl]-diphenylphosphanium?

The canonical SMILES for Dichloroplatinum;[2-(diphenylphosphaniumylmethyl)-2-methyl-5-trimethylsilylpent-4-ynyl]-diphenylphosphanium is CC(CC#C[Si](C)(C)C)(C[PH+](c1ccccc1)c1ccccc1)C[PH+](c1ccccc1)c1ccccc1.Cl[Pt]Cl.

What is the InChIKey of Dichloroplatinum;[2-(diphenylphosphaniumylmethyl)-2-methyl-5-trimethylsilylpent-4-ynyl]-diphenylphosphanium?

The InChIKey is PRHUIEFKOVZGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38P2Si.2ClH.Pt/c1-34(26-17-27-37(2,3)4,28-35(30-18-9-5-10-19-30)31-20-11-6-12-21-31)29-36(32-22-13-7-14-23-32)33-24-15-8-16-25-33;;;/h5-16,18-25H,26,28-29H2,1-4H3;2*1H;/q;;;+2.

What are the key properties of Dichloroplatinum;[2-(diphenylphosphaniumylmethyl)-2-methyl-5-trimethylsilylpent-4-ynyl]-diphenylphosphanium?

Dichloroplatinum;[2-(diphenylphosphaniumylmethyl)-2-methyl-5-trimethylsilylpent-4-ynyl]-diphenylphosphanium has a molecular weight of 804.71 g/mol, XLogP of 8.37, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for Dichloroplatinum;[2-(diphenylphosphaniumylmethyl)-2-methyl-5-trimethylsilylpent-4-ynyl]-diphenylphosphanium is sourced from PubChem (CID 6394462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6394462 — identifiers, structure, computed properties (public domain)

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