4-(4-chlorophenyl)-5-phenylselenadiazole

C14H9ClN2Se — CID 150252929

IUPAC4-(4-chlorophenyl)-5-phenylselenadiazole
SMILESClc1ccc(-c2nn[se]c2-c2ccccc2)cc1
InChIInChI=1S/C14H9ClN2Se/c15-12-8-6-10(7-9-12)13-14(18-17-16-13)11-4-2-1-3-5-11/h1-9H
InChIKeyFZYDOOLWXKRLIW-UHFFFAOYSA-N
MW319.65 g/mol
LogP3.52
Rot. Bonds2

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

4-(4-chlorophenyl)-5-phenylselenadiazole (PubChem CID 150252929) has the molecular formula C14H9ClN2Se and a molecular weight of 319.65 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-phenylselenadiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-phenylselenadiazole
PubChem CID150252929
Molecular FormulaC14H9ClN2Se
Molecular Weight319.65 g/mol
Exact Mass319.96
IUPAC Name4-(4-chlorophenyl)-5-phenylselenadiazole
SMILESClc1ccc(-c2nn[se]c2-c2ccccc2)cc1
InChIInChI=1S/C14H9ClN2Se/c15-12-8-6-10(7-9-12)13-14(18-17-16-13)11-4-2-1-3-5-11/h1-9H
InChIKeyFZYDOOLWXKRLIW-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 4-(4-chlorophenyl)-5-phenylselenadiazole?
The IUPAC name of 4-(4-chlorophenyl)-5-phenylselenadiazole (CID 150252929) is 4-(4-chlorophenyl)-5-phenylselenadiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-5-phenylselenadiazole?
The canonical SMILES for 4-(4-chlorophenyl)-5-phenylselenadiazole is Clc1ccc(-c2nn[se]c2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-phenylselenadiazole?
The InChIKey is FZYDOOLWXKRLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2Se/c15-12-8-6-10(7-9-12)13-14(18-17-16-13)11-4-2-1-3-5-11/h1-9H.
What are the key properties of 4-(4-chlorophenyl)-5-phenylselenadiazole?
4-(4-chlorophenyl)-5-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 4-(4-chlorophenyl)-5-phenylselenadiazole is sourced from PubChem (CID 150252929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).