5,5-dimethoxy-2-oxido-3,5-diphenyl-4-(2,4,6-trimethylphenyl)-4H-1,2,5λ5-oxazaphosphol-2-ium

C25H28NO4P — CID 23417141

About 5,5-dimethoxy-2-oxido-3,5-diphenyl-4-(2,4,6-trimethylphenyl)-4H-1,2,5λ5-oxazaphosphol-2-ium

5,5-dimethoxy-2-oxido-3,5-diphenyl-4-(2,4,6-trimethylphenyl)-4H-1,2,5λ5-oxazaphosphol-2-ium (PubChem CID 23417141) has the molecular formula C25H28NO4P and a molecular weight of 437.48 g/mol. Its IUPAC name is 5,5-dimethoxy-2-oxido-3,5-diphenyl-4-(2,4,6-trimethylphenyl)-4H-1,2,5λ5-oxazaphosphol-2-ium.

Molecular Properties

• Compound Name: 5,5-dimethoxy-2-oxido-3,5-diphenyl-4-(2,4,6-trimethylphenyl)-4H-1,2,5λ5-oxazaphosphol-2-ium
• PubChem CID: 23417141
• Molecular Formula: C25H28NO4P
• Molecular Weight: 437.48 g/mol
• Exact Mass: 437.18
• IUPAC Name: 5,5-dimethoxy-2-oxido-3,5-diphenyl-4-(2,4,6-trimethylphenyl)-4H-1,2,5λ5-oxazaphosphol-2-ium
• SMILES: COP1(OC)(c2ccccc2)O[N+]([O-])=C(c2ccccc2)C1c1c(C)cc(C)cc1C
• InChI: InChI=1S/C25H28NO4P/c1-18-16-19(2)23(20(3)17-18)25-24(21-12-8-6-9-13-21)26(27)30-31(25,28-4,29-5)22-14-10-7-11-15-22/h6-17,25H,1-5H3
• InChIKey: XKUDFXPSGSIUDK-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 53.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.48
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethoxy-2-oxido-3,5-diphenyl-4-(2,4,6-trimethylphenyl)-4H-1,2,5λ5-oxazaphosphol-2-ium?

The IUPAC name of 5,5-dimethoxy-2-oxido-3,5-diphenyl-4-(2,4,6-trimethylphenyl)-4H-1,2,5λ5-oxazaphosphol-2-ium (CID 23417141) is 5,5-dimethoxy-2-oxido-3,5-diphenyl-4-(2,4,6-trimethylphenyl)-4H-1,2,5λ5-oxazaphosphol-2-ium.

What is the SMILES notation for 5,5-dimethoxy-2-oxido-3,5-diphenyl-4-(2,4,6-trimethylphenyl)-4H-1,2,5λ5-oxazaphosphol-2-ium?

The canonical SMILES for 5,5-dimethoxy-2-oxido-3,5-diphenyl-4-(2,4,6-trimethylphenyl)-4H-1,2,5λ5-oxazaphosphol-2-ium is COP1(OC)(c2ccccc2)O[N+]([O-])=C(c2ccccc2)C1c1c(C)cc(C)cc1C.

What is the InChIKey of 5,5-dimethoxy-2-oxido-3,5-diphenyl-4-(2,4,6-trimethylphenyl)-4H-1,2,5λ5-oxazaphosphol-2-ium?

The InChIKey is XKUDFXPSGSIUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28NO4P/c1-18-16-19(2)23(20(3)17-18)25-24(21-12-8-6-9-13-21)26(27)30-31(25,28-4,29-5)22-14-10-7-11-15-22/h6-17,25H,1-5H3.

What are the key properties of 5,5-dimethoxy-2-oxido-3,5-diphenyl-4-(2,4,6-trimethylphenyl)-4H-1,2,5λ5-oxazaphosphol-2-ium?

5,5-dimethoxy-2-oxido-3,5-diphenyl-4-(2,4,6-trimethylphenyl)-4H-1,2,5λ5-oxazaphosphol-2-ium has a molecular weight of 437.48 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-dimethoxy-2-oxido-3,5-diphenyl-4-(2,4,6-trimethylphenyl)-4H-1,2,5λ5-oxazaphosphol-2-ium is sourced from PubChem (CID 23417141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).