4,5-bis(4-chlorophenyl)selenadiazole

C14H8Cl2N2Se — CID 153406916

IUPAC4,5-bis(4-chlorophenyl)selenadiazole
SMILESClc1ccc(-c2nn[se]c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H8Cl2N2Se/c15-11-5-1-9(2-6-11)13-14(19-18-17-13)10-3-7-12(16)8-4-10/h1-8H
InChIKeyREKUVXAKYVDMLZ-UHFFFAOYSA-N
MW354.10 g/mol
LogP4.17
Rot. Bonds2

About 4,5-bis(4-chlorophenyl)selenadiazole

4,5-bis(4-chlorophenyl)selenadiazole (PubChem CID 153406916) has the molecular formula C14H8Cl2N2Se and a molecular weight of 354.10 g/mol. Its IUPAC name is 4,5-bis(4-chlorophenyl)selenadiazole.

Molecular Properties

Compound Name4,5-bis(4-chlorophenyl)selenadiazole
PubChem CID153406916
Molecular FormulaC14H8Cl2N2Se
Molecular Weight354.10 g/mol
Exact Mass353.92
IUPAC Name4,5-bis(4-chlorophenyl)selenadiazole
SMILESClc1ccc(-c2nn[se]c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H8Cl2N2Se/c15-11-5-1-9(2-6-11)13-14(19-18-17-13)10-3-7-12(16)8-4-10/h1-8H
InChIKeyREKUVXAKYVDMLZ-UHFFFAOYSA-N
XLogP4.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.10
LogP ≤ 54.17
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 4,5-bis(4-chlorophenyl)selenadiazole?
The IUPAC name of 4,5-bis(4-chlorophenyl)selenadiazole (CID 153406916) is 4,5-bis(4-chlorophenyl)selenadiazole.
What is the SMILES notation for 4,5-bis(4-chlorophenyl)selenadiazole?
The canonical SMILES for 4,5-bis(4-chlorophenyl)selenadiazole is Clc1ccc(-c2nn[se]c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4,5-bis(4-chlorophenyl)selenadiazole?
The InChIKey is REKUVXAKYVDMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2Se/c15-11-5-1-9(2-6-11)13-14(19-18-17-13)10-3-7-12(16)8-4-10/h1-8H.
What are the key properties of 4,5-bis(4-chlorophenyl)selenadiazole?
4,5-bis(4-chlorophenyl)selenadiazole has a molecular weight of 354.10 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-chlorophenyl)selenadiazole is sourced from PubChem (CID 153406916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).