2-(4-phenylphenyl)-1,3,4-selenadiazole

C14H10N2Se — CID 71482715

IUPAC2-(4-phenylphenyl)-1,3,4-selenadiazole
SMILESc1ccc(-c2ccc(-c3nnc[se]3)cc2)cc1
InChIInChI=1S/C14H10N2Se/c1-2-4-11(5-3-1)12-6-8-13(9-7-12)14-16-15-10-17-14/h1-10H
InChIKeyXZDAZEMAMZQYSN-UHFFFAOYSA-N
MW285.21 g/mol
LogP2.87
Rot. Bonds2

About 2-(4-phenylphenyl)-1,3,4-selenadiazole

2-(4-phenylphenyl)-1,3,4-selenadiazole (PubChem CID 71482715) has the molecular formula C14H10N2Se and a molecular weight of 285.21 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-1,3,4-selenadiazole.

Molecular Properties

Compound Name2-(4-phenylphenyl)-1,3,4-selenadiazole
PubChem CID71482715
Molecular FormulaC14H10N2Se
Molecular Weight285.21 g/mol
Exact Mass286.00
IUPAC Name2-(4-phenylphenyl)-1,3,4-selenadiazole
SMILESc1ccc(-c2ccc(-c3nnc[se]3)cc2)cc1
InChIInChI=1S/C14H10N2Se/c1-2-4-11(5-3-1)12-6-8-13(9-7-12)14-16-15-10-17-14/h1-10H
InChIKeyXZDAZEMAMZQYSN-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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Related Compounds

2-(4-Fluorophenyl)-5-(4-methylphenyl)-1,3,4-selenadiazole
CID 42603506
2-(4-Fluorophenyl)-5-phenyl-1,3,4-selenadiazole
CID 42604461
2,5-Diphenyl-1,3,4-selenadiazole
CID 13866377
2-(4-Fluorophenyl)-1,3,4-selenadiazole
CID 71482567
2-(4-Phenylphenyl)-1,3,4-thiadiazole
CID 54288467
3,5-Diphenyl-1,2-diaza-4-phosphanidacyclopenta-2,5-diene
CID 101861870
5-[4-(2-Phenylethyl)phenyl]-1,3,4-selenadiazol-2-amine
CID 166447283
2-[4-(Trifluoromethyl)phenyl]-1,3,4-selenadiazole
CID 71482574
2,5-Bis(4-methylphenyl)-1,3,4-selenadiazole
CID 21856249
2-(4-Methylphenyl)-1,3,4-selenadiazole
CID 71482573
2-(4-Cyclohexylphenyl)-1,3,4-thiadiazole
CID 174383495
2-(4-Methylphenyl)-5-phenyl-1,3,4-selenadiazole
CID 42605305

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-1,3,4-selenadiazole?
The IUPAC name of 2-(4-phenylphenyl)-1,3,4-selenadiazole (CID 71482715) is 2-(4-phenylphenyl)-1,3,4-selenadiazole.
What is the SMILES notation for 2-(4-phenylphenyl)-1,3,4-selenadiazole?
The canonical SMILES for 2-(4-phenylphenyl)-1,3,4-selenadiazole is c1ccc(-c2ccc(-c3nnc[se]3)cc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)-1,3,4-selenadiazole?
The InChIKey is XZDAZEMAMZQYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2Se/c1-2-4-11(5-3-1)12-6-8-13(9-7-12)14-16-15-10-17-14/h1-10H.
What are the key properties of 2-(4-phenylphenyl)-1,3,4-selenadiazole?
2-(4-phenylphenyl)-1,3,4-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 2-(4-phenylphenyl)-1,3,4-selenadiazole is sourced from PubChem (CID 71482715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).