1-phenylselanylnaphthalene

C16H12Se — CID 11196823

IUPAC1-phenylselanylnaphthalene
SMILESc1ccc([Se]c2cccc3ccccc23)cc1
InChIInChI=1S/C16H12Se/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-12H
InChIKeyAJKRRKYBAZGYQE-UHFFFAOYSA-N
MW283.23 g/mol
LogP2.49
Rot. Bonds2

About 1-phenylselanylnaphthalene

1-phenylselanylnaphthalene (PubChem CID 11196823) has the molecular formula C16H12Se and a molecular weight of 283.23 g/mol. Its IUPAC name is 1-phenylselanylnaphthalene.

Molecular Properties

Compound Name1-phenylselanylnaphthalene
PubChem CID11196823
Molecular FormulaC16H12Se
Molecular Weight283.23 g/mol
Exact Mass284.01
IUPAC Name1-phenylselanylnaphthalene
SMILESc1ccc([Se]c2cccc3ccccc23)cc1
InChIInChI=1S/C16H12Se/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-12H
InChIKeyAJKRRKYBAZGYQE-UHFFFAOYSA-N
XLogP2.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 52.49
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 1-phenylselanylnaphthalene?
The IUPAC name of 1-phenylselanylnaphthalene (CID 11196823) is 1-phenylselanylnaphthalene.
What is the SMILES notation for 1-phenylselanylnaphthalene?
The canonical SMILES for 1-phenylselanylnaphthalene is c1ccc([Se]c2cccc3ccccc23)cc1.
What is the InChIKey of 1-phenylselanylnaphthalene?
The InChIKey is AJKRRKYBAZGYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Se/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-12H.
What are the key properties of 1-phenylselanylnaphthalene?
1-phenylselanylnaphthalene has a molecular weight of 283.23 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylselanylnaphthalene is sourced from PubChem (CID 11196823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).