phenylselanylbenzene

C12H10Se — CID 14333

IUPACphenylselanylbenzene
SMILESc1ccc([Se]c2ccccc2)cc1
InChIInChI=1S/C12H10Se/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
InChIKeyORQWTLCYLDRDHK-UHFFFAOYSA-N
MW233.17 g/mol
LogP1.34
Rot. Bonds2

About phenylselanylbenzene

phenylselanylbenzene (PubChem CID 14333) has the molecular formula C12H10Se and a molecular weight of 233.17 g/mol. Its IUPAC name is phenylselanylbenzene.

Molecular Properties

Compound Namephenylselanylbenzene
PubChem CID14333
Molecular FormulaC12H10Se
Molecular Weight233.17 g/mol
Exact Mass233.99
IUPAC Namephenylselanylbenzene
SMILESc1ccc([Se]c2ccccc2)cc1
InChIInChI=1S/C12H10Se/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
InChIKeyORQWTLCYLDRDHK-UHFFFAOYSA-N
XLogP1.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.17
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 phenylselanylbenzene?
The IUPAC name of phenylselanylbenzene (CID 14333) is phenylselanylbenzene.
What is the SMILES notation for phenylselanylbenzene?
The canonical SMILES for phenylselanylbenzene is c1ccc([Se]c2ccccc2)cc1.
What is the InChIKey of phenylselanylbenzene?
The InChIKey is ORQWTLCYLDRDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Se/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H.
What are the key properties of phenylselanylbenzene?
phenylselanylbenzene has a molecular weight of 233.17 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenylselanylbenzene is sourced from PubChem (CID 14333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).