bromo-[(2-bromo-5-chlorophenyl)methyl]-triphenyl-lambda5-phosphane

C25H20Br2ClP — CID 15319831

IUPACbromo-[(2-bromo-5-chlorophenyl)methyl]-triphenyl-lambda5-phosphane
SMILESClc1ccc(Br)c(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H20Br2ClP/c26-25-17-16-21(28)18-20(25)19-29(27,22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-18H,19H2
InChIKeyBQZSKAXUZDFSRF-UHFFFAOYSA-N
MW546.67 g/mol
LogP7.44
Rot. Bonds5

About bromo-[(2-bromo-5-chlorophenyl)methyl]-triphenyl-lambda5-phosphane

bromo-[(2-bromo-5-chlorophenyl)methyl]-triphenyl-lambda5-phosphane (PubChem CID 15319831) has the molecular formula C25H20Br2ClP and a molecular weight of 546.67 g/mol. Its IUPAC name is bromo-[(2-bromo-5-chlorophenyl)methyl]-triphenyl-lambda5-phosphane.

Molecular Properties

Compound Namebromo-[(2-bromo-5-chlorophenyl)methyl]-triphenyl-lambda5-phosphane
PubChem CID15319831
Molecular FormulaC25H20Br2ClP
Molecular Weight546.67 g/mol
Exact Mass543.94
IUPAC Namebromo-[(2-bromo-5-chlorophenyl)methyl]-triphenyl-lambda5-phosphane
SMILESClc1ccc(Br)c(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H20Br2ClP/c26-25-17-16-21(28)18-20(25)19-29(27,22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-18H,19H2
InChIKeyBQZSKAXUZDFSRF-UHFFFAOYSA-N
XLogP7.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.67
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bromo-[(2-bromo-5-chlorophenyl)methyl]-triphenyl-lambda5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bromo-[(2-bromo-5-chlorophenyl)methyl]-triphenyl-lambda5-phosphane?
The IUPAC name of bromo-[(2-bromo-5-chlorophenyl)methyl]-triphenyl-lambda5-phosphane (CID 15319831) is bromo-[(2-bromo-5-chlorophenyl)methyl]-triphenyl-lambda5-phosphane.
What is the SMILES notation for bromo-[(2-bromo-5-chlorophenyl)methyl]-triphenyl-lambda5-phosphane?
The canonical SMILES for bromo-[(2-bromo-5-chlorophenyl)methyl]-triphenyl-lambda5-phosphane is Clc1ccc(Br)c(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of bromo-[(2-bromo-5-chlorophenyl)methyl]-triphenyl-lambda5-phosphane?
The InChIKey is BQZSKAXUZDFSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Br2ClP/c26-25-17-16-21(28)18-20(25)19-29(27,22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-18H,19H2.
What are the key properties of bromo-[(2-bromo-5-chlorophenyl)methyl]-triphenyl-lambda5-phosphane?
bromo-[(2-bromo-5-chlorophenyl)methyl]-triphenyl-lambda5-phosphane has a molecular weight of 546.67 g/mol, XLogP of 7.44, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-[(2-bromo-5-chlorophenyl)methyl]-triphenyl-lambda5-phosphane is sourced from PubChem (CID 15319831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).