bis(1-chloropyrrolidine-2,5-dione);tetraphenylphosphanium;chloride

C32H28Cl3N2O4P — CID 139036724

IUPACbis(1-chloropyrrolidine-2,5-dione);tetraphenylphosphanium;chloride
SMILESO=C1CCC(=O)N1Cl.O=C1CCC(=O)N1Cl.[Cl-].c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20P.2C4H4ClNO2.ClH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*5-6-3(7)1-2-4(6)8;/h1-20H;2*1-2H2;1H/q+1;;;/p-1
InChIKeyLRNVQYAPYBNYIX-UHFFFAOYSA-M
MW641.92 g/mol
LogP1.89
Rot. Bonds4

About bis(1-chloropyrrolidine-2,5-dione);tetraphenylphosphanium;chloride

bis(1-chloropyrrolidine-2,5-dione);tetraphenylphosphanium;chloride (PubChem CID 139036724) has the molecular formula C32H28Cl3N2O4P and a molecular weight of 641.92 g/mol. Its IUPAC name is bis(1-chloropyrrolidine-2,5-dione);tetraphenylphosphanium;chloride.

Molecular Properties

Compound Namebis(1-chloropyrrolidine-2,5-dione);tetraphenylphosphanium;chloride
PubChem CID139036724
Molecular FormulaC32H28Cl3N2O4P
Molecular Weight641.92 g/mol
Exact Mass640.09
IUPAC Namebis(1-chloropyrrolidine-2,5-dione);tetraphenylphosphanium;chloride
SMILESO=C1CCC(=O)N1Cl.O=C1CCC(=O)N1Cl.[Cl-].c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20P.2C4H4ClNO2.ClH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*5-6-3(7)1-2-4(6)8;/h1-20H;2*1-2H2;1H/q+1;;;/p-1
InChIKeyLRNVQYAPYBNYIX-UHFFFAOYSA-M
XLogP1.89
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500641.92
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1-chloropyrrolidine-2,5-dione);tetraphenylphosphanium;chloride?
The IUPAC name of bis(1-chloropyrrolidine-2,5-dione);tetraphenylphosphanium;chloride (CID 139036724) is bis(1-chloropyrrolidine-2,5-dione);tetraphenylphosphanium;chloride.
What is the SMILES notation for bis(1-chloropyrrolidine-2,5-dione);tetraphenylphosphanium;chloride?
The canonical SMILES for bis(1-chloropyrrolidine-2,5-dione);tetraphenylphosphanium;chloride is O=C1CCC(=O)N1Cl.O=C1CCC(=O)N1Cl.[Cl-].c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(1-chloropyrrolidine-2,5-dione);tetraphenylphosphanium;chloride?
The InChIKey is LRNVQYAPYBNYIX-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H20P.2C4H4ClNO2.ClH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*5-6-3(7)1-2-4(6)8;/h1-20H;2*1-2H2;1H/q+1;;;/p-1.
What are the key properties of bis(1-chloropyrrolidine-2,5-dione);tetraphenylphosphanium;chloride?
bis(1-chloropyrrolidine-2,5-dione);tetraphenylphosphanium;chloride has a molecular weight of 641.92 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-chloropyrrolidine-2,5-dione);tetraphenylphosphanium;chloride is sourced from PubChem (CID 139036724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).