3,4-diphenyl-1,2,5-selenadiazole

C14H10N2Se — CID 602988

IUPAC3,4-diphenyl-1,2,5-selenadiazole
SMILESc1ccc(-c2n[se]nc2-c2ccccc2)cc1
InChIInChI=1S/C14H10N2Se/c1-3-7-11(8-4-1)13-14(16-17-15-13)12-9-5-2-6-10-12/h1-10H
InChIKeyYMRXGZVSRMTEOK-UHFFFAOYSA-N
MW285.21 g/mol
LogP2.87
Rot. Bonds2

About 3,4-diphenyl-1,2,5-selenadiazole

3,4-diphenyl-1,2,5-selenadiazole (PubChem CID 602988) has the molecular formula C14H10N2Se and a molecular weight of 285.21 g/mol. Its IUPAC name is 3,4-diphenyl-1,2,5-selenadiazole.

Molecular Properties

Compound Name3,4-diphenyl-1,2,5-selenadiazole
PubChem CID602988
Molecular FormulaC14H10N2Se
Molecular Weight285.21 g/mol
Exact Mass286.00
IUPAC Name3,4-diphenyl-1,2,5-selenadiazole
SMILESc1ccc(-c2n[se]nc2-c2ccccc2)cc1
InChIInChI=1S/C14H10N2Se/c1-3-7-11(8-4-1)13-14(16-17-15-13)12-9-5-2-6-10-12/h1-10H
InChIKeyYMRXGZVSRMTEOK-UHFFFAOYSA-N
XLogP2.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.21
LogP ≤ 52.87
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 3,4-diphenyl-1,2,5-selenadiazole?
The IUPAC name of 3,4-diphenyl-1,2,5-selenadiazole (CID 602988) is 3,4-diphenyl-1,2,5-selenadiazole.
What is the SMILES notation for 3,4-diphenyl-1,2,5-selenadiazole?
The canonical SMILES for 3,4-diphenyl-1,2,5-selenadiazole is c1ccc(-c2n[se]nc2-c2ccccc2)cc1.
What is the InChIKey of 3,4-diphenyl-1,2,5-selenadiazole?
The InChIKey is YMRXGZVSRMTEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2Se/c1-3-7-11(8-4-1)13-14(16-17-15-13)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 3,4-diphenyl-1,2,5-selenadiazole?
3,4-diphenyl-1,2,5-selenadiazole has a molecular weight of 285.21 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-1,2,5-selenadiazole is sourced from PubChem (CID 602988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).