5-(4-chlorophenyl)-4-phenylselenadiazole

C14H9ClN2Se — CID 152580220

IUPAC5-(4-chlorophenyl)-4-phenylselenadiazole
SMILESClc1ccc(-c2[se]nnc2-c2ccccc2)cc1
InChIInChI=1S/C14H9ClN2Se/c15-12-8-6-11(7-9-12)14-13(16-17-18-14)10-4-2-1-3-5-10/h1-9H
InChIKeyYTHROIBOHYCQLZ-UHFFFAOYSA-N
MW319.65 g/mol
LogP3.52
Rot. Bonds2

About 5-(4-chlorophenyl)-4-phenylselenadiazole

5-(4-chlorophenyl)-4-phenylselenadiazole (PubChem CID 152580220) has the molecular formula C14H9ClN2Se and a molecular weight of 319.65 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-phenylselenadiazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-phenylselenadiazole
PubChem CID152580220
Molecular FormulaC14H9ClN2Se
Molecular Weight319.65 g/mol
Exact Mass319.96
IUPAC Name5-(4-chlorophenyl)-4-phenylselenadiazole
SMILESClc1ccc(-c2[se]nnc2-c2ccccc2)cc1
InChIInChI=1S/C14H9ClN2Se/c15-12-8-6-11(7-9-12)14-13(16-17-18-14)10-4-2-1-3-5-10/h1-9H
InChIKeyYTHROIBOHYCQLZ-UHFFFAOYSA-N
XLogP3.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.65
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-phenylselenadiazole?
The IUPAC name of 5-(4-chlorophenyl)-4-phenylselenadiazole (CID 152580220) is 5-(4-chlorophenyl)-4-phenylselenadiazole.
What is the SMILES notation for 5-(4-chlorophenyl)-4-phenylselenadiazole?
The canonical SMILES for 5-(4-chlorophenyl)-4-phenylselenadiazole is Clc1ccc(-c2[se]nnc2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-phenylselenadiazole?
The InChIKey is YTHROIBOHYCQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2Se/c15-12-8-6-11(7-9-12)14-13(16-17-18-14)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 5-(4-chlorophenyl)-4-phenylselenadiazole?
5-(4-chlorophenyl)-4-phenylselenadiazole has a molecular weight of 319.65 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-phenylselenadiazole is sourced from PubChem (CID 152580220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).