1-bromo-8-(4-chlorophenyl)selanylnaphthalene

C16H10BrClSe — CID 11732030

IUPAC1-bromo-8-(4-chlorophenyl)selanylnaphthalene
SMILESClc1ccc([Se]c2cccc3cccc(Br)c23)cc1
InChIInChI=1S/C16H10BrClSe/c17-14-5-1-3-11-4-2-6-15(16(11)14)19-13-9-7-12(18)8-10-13/h1-10H
InChIKeyBIAZDEDAOSVYMN-UHFFFAOYSA-N
MW396.57 g/mol
LogP3.91
Rot. Bonds2

About 1-bromo-8-(4-chlorophenyl)selanylnaphthalene

1-bromo-8-(4-chlorophenyl)selanylnaphthalene (PubChem CID 11732030) has the molecular formula C16H10BrClSe and a molecular weight of 396.57 g/mol. Its IUPAC name is 1-bromo-8-(4-chlorophenyl)selanylnaphthalene.

Molecular Properties

Compound Name1-bromo-8-(4-chlorophenyl)selanylnaphthalene
PubChem CID11732030
Molecular FormulaC16H10BrClSe
Molecular Weight396.57 g/mol
Exact Mass395.88
IUPAC Name1-bromo-8-(4-chlorophenyl)selanylnaphthalene
SMILESClc1ccc([Se]c2cccc3cccc(Br)c23)cc1
InChIInChI=1S/C16H10BrClSe/c17-14-5-1-3-11-4-2-6-15(16(11)14)19-13-9-7-12(18)8-10-13/h1-10H
InChIKeyBIAZDEDAOSVYMN-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.57
LogP ≤ 53.91
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-bromo-8-(4-chlorophenyl)selanylnaphthalene?
The IUPAC name of 1-bromo-8-(4-chlorophenyl)selanylnaphthalene (CID 11732030) is 1-bromo-8-(4-chlorophenyl)selanylnaphthalene.
What is the SMILES notation for 1-bromo-8-(4-chlorophenyl)selanylnaphthalene?
The canonical SMILES for 1-bromo-8-(4-chlorophenyl)selanylnaphthalene is Clc1ccc([Se]c2cccc3cccc(Br)c23)cc1.
What is the InChIKey of 1-bromo-8-(4-chlorophenyl)selanylnaphthalene?
The InChIKey is BIAZDEDAOSVYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClSe/c17-14-5-1-3-11-4-2-6-15(16(11)14)19-13-9-7-12(18)8-10-13/h1-10H.
What are the key properties of 1-bromo-8-(4-chlorophenyl)selanylnaphthalene?
1-bromo-8-(4-chlorophenyl)selanylnaphthalene has a molecular weight of 396.57 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-8-(4-chlorophenyl)selanylnaphthalene is sourced from PubChem (CID 11732030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).