benzyl-diphenyl-(2-phenylmethoxycarbonylphenyl)phosphanium

C33H28O2P+ — CID 101247820

IUPACbenzyl-diphenyl-(2-phenylmethoxycarbonylphenyl)phosphanium
SMILESO=C(OCc1ccccc1)c1ccccc1[P+](Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H28O2P/c34-33(35-25-27-15-5-1-6-16-27)31-23-13-14-24-32(31)36(29-19-9-3-10-20-29,30-21-11-4-12-22-30)26-28-17-7-2-8-18-28/h1-24H,25-26H2/q+1
InChIKeySNFILCZLNHGBDL-UHFFFAOYSA-N
MW487.56 g/mol
LogP6.54
Rot. Bonds8

About benzyl-diphenyl-(2-phenylmethoxycarbonylphenyl)phosphanium

benzyl-diphenyl-(2-phenylmethoxycarbonylphenyl)phosphanium (PubChem CID 101247820) has the molecular formula C33H28O2P+ and a molecular weight of 487.56 g/mol. Its IUPAC name is benzyl-diphenyl-(2-phenylmethoxycarbonylphenyl)phosphanium.

Molecular Properties

Compound Namebenzyl-diphenyl-(2-phenylmethoxycarbonylphenyl)phosphanium
PubChem CID101247820
Molecular FormulaC33H28O2P+
Molecular Weight487.56 g/mol
Exact Mass487.18
IUPAC Namebenzyl-diphenyl-(2-phenylmethoxycarbonylphenyl)phosphanium
SMILESO=C(OCc1ccccc1)c1ccccc1[P+](Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H28O2P/c34-33(35-25-27-15-5-1-6-16-27)31-23-13-14-24-32(31)36(29-19-9-3-10-20-29,30-21-11-4-12-22-30)26-28-17-7-2-8-18-28/h1-24H,25-26H2/q+1
InChIKeySNFILCZLNHGBDL-UHFFFAOYSA-N
XLogP6.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.56
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

copper(1+);2-phenylmethoxycarbonylbenzoate
CID 158888431
bis(4-methylpentan-2-yl) benzene-1,2-dicarboxylate;dibenzyl benzene-1,2-dicarboxylate
CID 175392349
1-O-benzyl 2-O-phosphono benzene-1,2-dicarboxylate
CID 57186966
benzyl 2-(difluoromethoxy)benzoate
CID 55327292
benzyl benzoate
CID 2345
benzyl 2-(3-hydroxypropanoyl)benzoate
CID 164827518
benzyl 2,3-difluorobenzoate
CID 62867579
benzyl 2-(dimethylamino)benzoate
CID 58143131
benzyl 2-fluoro-3-hydroxybenzoate
CID 561298
benzyl 9-oxofluorene-4-carboxylate
CID 21241008
benzyl-(2-fluorophenyl)-diphenylphosphanium
CID 175757872
bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104

Frequently Asked Questions

What is the IUPAC name of benzyl-diphenyl-(2-phenylmethoxycarbonylphenyl)phosphanium?
The IUPAC name of benzyl-diphenyl-(2-phenylmethoxycarbonylphenyl)phosphanium (CID 101247820) is benzyl-diphenyl-(2-phenylmethoxycarbonylphenyl)phosphanium.
What is the SMILES notation for benzyl-diphenyl-(2-phenylmethoxycarbonylphenyl)phosphanium?
The canonical SMILES for benzyl-diphenyl-(2-phenylmethoxycarbonylphenyl)phosphanium is O=C(OCc1ccccc1)c1ccccc1[P+](Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of benzyl-diphenyl-(2-phenylmethoxycarbonylphenyl)phosphanium?
The InChIKey is SNFILCZLNHGBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28O2P/c34-33(35-25-27-15-5-1-6-16-27)31-23-13-14-24-32(31)36(29-19-9-3-10-20-29,30-21-11-4-12-22-30)26-28-17-7-2-8-18-28/h1-24H,25-26H2/q+1.
What are the key properties of benzyl-diphenyl-(2-phenylmethoxycarbonylphenyl)phosphanium?
benzyl-diphenyl-(2-phenylmethoxycarbonylphenyl)phosphanium has a molecular weight of 487.56 g/mol, XLogP of 6.54, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-diphenyl-(2-phenylmethoxycarbonylphenyl)phosphanium is sourced from PubChem (CID 101247820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).