dimethyl(phenyl)phosphanium;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-oxotungsten;2,3,5,6-tetraphenylphenol

C54H54NO2PW — CID 140786872

About dimethyl(phenyl)phosphanium;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-oxotungsten;2,3,5,6-tetraphenylphenol

dimethyl(phenyl)phosphanium;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-oxotungsten;2,3,5,6-tetraphenylphenol (PubChem CID 140786872) has the molecular formula C54H54NO2PW and a molecular weight of 963.85 g/mol. Its IUPAC name is dimethyl(phenyl)phosphanium;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-oxotungsten;2,3,5,6-tetraphenylphenol.

Molecular Properties

• Compound Name: dimethyl(phenyl)phosphanium;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-oxotungsten;2,3,5,6-tetraphenylphenol
• PubChem CID: 140786872
• Molecular Formula: C54H54NO2PW
• Molecular Weight: 963.85 g/mol
• Exact Mass: 963.34
• IUPAC Name: dimethyl(phenyl)phosphanium;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-oxotungsten;2,3,5,6-tetraphenylphenol
• SMILES: CC(C)(C=[W]=O)c1ccccc1.C[PH+](C)c1ccccc1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccccc1
• InChI: InChI=1S/C30H22O.C10H12.C8H11P.C6H8N.O.W/c31-30-28(24-17-9-3-10-18-24)26(22-13-5-1-6-14-22)21-27(23-15-7-2-8-16-23)29(30)25-19-11-4-12-20-25;1-10(2,3)9-7-5-4-6-8-9;1-9(2)8-6-4-3-5-7-8;1-5-3-4-6(2)7-5;;/h1-21,31H;1,4-8H,2-3H3;3-7H,1-2H3;3-4H,1-2H3;;/q;;;-1;;/p+1
• InChIKey: YKGDJDDERKOKEN-UHFFFAOYSA-O
• XLogP: 13.30
• TPSA: 51.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	963.85
LogP ≤ 5	13.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dimethyl(phenyl)phosphanium;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-oxotungsten;2,3,5,6-tetraphenylphenol?

The IUPAC name of dimethyl(phenyl)phosphanium;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-oxotungsten;2,3,5,6-tetraphenylphenol (CID 140786872) is dimethyl(phenyl)phosphanium;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-oxotungsten;2,3,5,6-tetraphenylphenol.

What is the SMILES notation for dimethyl(phenyl)phosphanium;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-oxotungsten;2,3,5,6-tetraphenylphenol?

The canonical SMILES for dimethyl(phenyl)phosphanium;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-oxotungsten;2,3,5,6-tetraphenylphenol is CC(C)(C=[W]=O)c1ccccc1.C[PH+](C)c1ccccc1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccccc1.

What is the InChIKey of dimethyl(phenyl)phosphanium;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-oxotungsten;2,3,5,6-tetraphenylphenol?

The InChIKey is YKGDJDDERKOKEN-UHFFFAOYSA-O. The full InChI is InChI=1S/C30H22O.C10H12.C8H11P.C6H8N.O.W/c31-30-28(24-17-9-3-10-18-24)26(22-13-5-1-6-14-22)21-27(23-15-7-2-8-16-23)29(30)25-19-11-4-12-20-25;1-10(2,3)9-7-5-4-6-8-9;1-9(2)8-6-4-3-5-7-8;1-5-3-4-6(2)7-5;;/h1-21,31H;1,4-8H,2-3H3;3-7H,1-2H3;3-4H,1-2H3;;/q;;;-1;;/p+1.

What are the key properties of dimethyl(phenyl)phosphanium;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-oxotungsten;2,3,5,6-tetraphenylphenol?

dimethyl(phenyl)phosphanium;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-oxotungsten;2,3,5,6-tetraphenylphenol has a molecular weight of 963.85 g/mol, XLogP of 13.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl(phenyl)phosphanium;2,5-dimethylpyrrol-1-ide;(2-methyl-2-phenylpropylidene)-oxotungsten;2,3,5,6-tetraphenylphenol is sourced from PubChem (CID 140786872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).