bis(benzyl(triphenyl)phosphanium) dichloride

C50H44Cl2P2 — CID 161237104

IUPACbis(benzyl(triphenyl)phosphanium) dichloride
SMILES[Cl-].[Cl-].c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C25H22P.2ClH/c2*1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;;/h2*1-20H,21H2;2*1H/q2*+1;;/p-2
InChIKeyUZNFCFIVXKVOCT-UHFFFAOYSA-L
MW777.76 g/mol
LogP4.37
Rot. Bonds10

About bis(benzyl(triphenyl)phosphanium) dichloride

bis(benzyl(triphenyl)phosphanium) dichloride (PubChem CID 161237104) has the molecular formula C50H44Cl2P2 and a molecular weight of 777.76 g/mol. Its IUPAC name is bis(benzyl(triphenyl)phosphanium) dichloride.

Molecular Properties

Compound Namebis(benzyl(triphenyl)phosphanium) dichloride
PubChem CID161237104
Molecular FormulaC50H44Cl2P2
Molecular Weight777.76 g/mol
Exact Mass776.23
IUPAC Namebis(benzyl(triphenyl)phosphanium) dichloride
SMILES[Cl-].[Cl-].c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C25H22P.2ClH/c2*1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;;/h2*1-20H,21H2;2*1H/q2*+1;;/p-2
InChIKeyUZNFCFIVXKVOCT-UHFFFAOYSA-L
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500777.76
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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[3-(chloromethyl)phenyl]methyl-triphenylphosphanium chloride
CID 19744545
[4-[(E)-1,2-diphenyl-2-[4-(triphenylphosphaniumylmethyl)phenyl]ethenyl]phenyl]methyl-triphenylphosphanium
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Frequently Asked Questions

What is the IUPAC name of bis(benzyl(triphenyl)phosphanium) dichloride?
The IUPAC name of bis(benzyl(triphenyl)phosphanium) dichloride (CID 161237104) is bis(benzyl(triphenyl)phosphanium) dichloride.
What is the SMILES notation for bis(benzyl(triphenyl)phosphanium) dichloride?
The canonical SMILES for bis(benzyl(triphenyl)phosphanium) dichloride is [Cl-].[Cl-].c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(benzyl(triphenyl)phosphanium) dichloride?
The InChIKey is UZNFCFIVXKVOCT-UHFFFAOYSA-L. The full InChI is InChI=1S/2C25H22P.2ClH/c2*1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;;/h2*1-20H,21H2;2*1H/q2*+1;;/p-2.
What are the key properties of bis(benzyl(triphenyl)phosphanium) dichloride?
bis(benzyl(triphenyl)phosphanium) dichloride has a molecular weight of 777.76 g/mol, XLogP of 4.37, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzyl(triphenyl)phosphanium) dichloride is sourced from PubChem (CID 161237104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).