4,5-diphenyl-1,3-selenazole

C15H11NSe — CID 12031735

IUPAC4,5-diphenyl-1,3-selenazole
SMILESc1ccc(-c2nc[se]c2-c2ccccc2)cc1
InChIInChI=1S/C15H11NSe/c1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13/h1-11H
InChIKeyQBQQTGIZSOGZBT-UHFFFAOYSA-N
MW284.22 g/mol
LogP3.47
Rot. Bonds2

About 4,5-diphenyl-1,3-selenazole

4,5-diphenyl-1,3-selenazole (PubChem CID 12031735) has the molecular formula C15H11NSe and a molecular weight of 284.22 g/mol. Its IUPAC name is 4,5-diphenyl-1,3-selenazole.

Molecular Properties

Compound Name4,5-diphenyl-1,3-selenazole
PubChem CID12031735
Molecular FormulaC15H11NSe
Molecular Weight284.22 g/mol
Exact Mass285.01
IUPAC Name4,5-diphenyl-1,3-selenazole
SMILESc1ccc(-c2nc[se]c2-c2ccccc2)cc1
InChIInChI=1S/C15H11NSe/c1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13/h1-11H
InChIKeyQBQQTGIZSOGZBT-UHFFFAOYSA-N
XLogP3.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-diphenyl-1,3-selenazole?
The IUPAC name of 4,5-diphenyl-1,3-selenazole (CID 12031735) is 4,5-diphenyl-1,3-selenazole.
What is the SMILES notation for 4,5-diphenyl-1,3-selenazole?
The canonical SMILES for 4,5-diphenyl-1,3-selenazole is c1ccc(-c2nc[se]c2-c2ccccc2)cc1.
What is the InChIKey of 4,5-diphenyl-1,3-selenazole?
The InChIKey is QBQQTGIZSOGZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NSe/c1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 4,5-diphenyl-1,3-selenazole?
4,5-diphenyl-1,3-selenazole has a molecular weight of 284.22 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-1,3-selenazole is sourced from PubChem (CID 12031735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).