4-phenyl-5-phenylselanylselenadiazole

C14H10N2Se2 — CID 13078071

IUPAC4-phenyl-5-phenylselanylselenadiazole
SMILESc1ccc([Se]c2[se]nnc2-c2ccccc2)cc1
InChIInChI=1S/C14H10N2Se2/c1-3-7-11(8-4-1)13-14(18-16-15-13)17-12-9-5-2-6-10-12/h1-10H
InChIKeyWDUURFUCKZXOGN-UHFFFAOYSA-N
MW364.17 g/mol
LogP0.86
Rot. Bonds3

About 4-phenyl-5-phenylselanylselenadiazole

4-phenyl-5-phenylselanylselenadiazole (PubChem CID 13078071) has the molecular formula C14H10N2Se2 and a molecular weight of 364.17 g/mol. Its IUPAC name is 4-phenyl-5-phenylselanylselenadiazole.

Molecular Properties

Compound Name4-phenyl-5-phenylselanylselenadiazole
PubChem CID13078071
Molecular FormulaC14H10N2Se2
Molecular Weight364.17 g/mol
Exact Mass365.92
IUPAC Name4-phenyl-5-phenylselanylselenadiazole
SMILESc1ccc([Se]c2[se]nnc2-c2ccccc2)cc1
InChIInChI=1S/C14H10N2Se2/c1-3-7-11(8-4-1)13-14(18-16-15-13)17-12-9-5-2-6-10-12/h1-10H
InChIKeyWDUURFUCKZXOGN-UHFFFAOYSA-N
XLogP0.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.17
LogP ≤ 50.86
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-phenyl-5-phenylselanylselenadiazole?
The IUPAC name of 4-phenyl-5-phenylselanylselenadiazole (CID 13078071) is 4-phenyl-5-phenylselanylselenadiazole.
What is the SMILES notation for 4-phenyl-5-phenylselanylselenadiazole?
The canonical SMILES for 4-phenyl-5-phenylselanylselenadiazole is c1ccc([Se]c2[se]nnc2-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-5-phenylselanylselenadiazole?
The InChIKey is WDUURFUCKZXOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2Se2/c1-3-7-11(8-4-1)13-14(18-16-15-13)17-12-9-5-2-6-10-12/h1-10H.
What are the key properties of 4-phenyl-5-phenylselanylselenadiazole?
4-phenyl-5-phenylselanylselenadiazole has a molecular weight of 364.17 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-phenylselanylselenadiazole is sourced from PubChem (CID 13078071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).