CAS 852-38-0|2-苯基-5-(4-联苯基)-1,3,4-噁二唑|PBD|2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole|2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole|2-(4-Biphenylyl)-5-phenyl-1,3,4-oxadiazole|2-(4-联苯基)-5-...

General Information

Structure

Molecular Formula

C₂₀H₁₄N₂O

Molecular Mass

298.33796

Exact Mass

298.11061308

Charge

InChI

InChI=1S/C20H14N2O/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)20-22-21-19(23-20)17-9-5-2-6-10-17/h1-14H

InChIKey

WMAXWOOEPJQXEB-UHFFFAOYSA-N

Canonic Smiles

c1ccc(cc1)c1ccc(cc1)c1nnc(o1)c1ccccc1

Isomeric Smiles

c1ccc(cc1)c1ccc(cc1)c1nnc(o1)c1ccccc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.6514516

LogD (pH = 7.4)

4.6514516

Log P

4.6514516

Molar Refractivity

112.323

Polarizability

37.104946

Polar Surface Area

38.92

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

2-苯基-5-(4-联苯基)-1,3,4-噁二唑PBD2-(4-Biphenylyl)-5-phenyl-1,3,4-oxadiazole2-(4-联苯基)-5-苯基-1,3,4-噁二唑2-Phenyl-5-(4-biphenylyl)-1,3,4-oxadiazole

IUPAC name

2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole

IUPAC Traditional name

2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole

Names and Identifiers

Registration numbers

MDL Number

CAS Number

EC Number

Beilstein Number

PubChem SID

PubChem CID

Registration numbers

Properties

Safety Information

Storage Temperature

2-8°C

Personal Protective Equipment

Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

German water hazard class

MSDS Link

Download link

Product Information

suitable for liquid scintillation spectrometry

C20H14N2O

99%

Physical Property

HOMO 6.2 eV

LUMO 2.4 eV

167-169 °C(lit.)

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

257850

Application
Suitable as laser dye
Packaging
5 g in glass bottle

Molecule Details

References

PubChem Literature

No Data Available

Click here to submit data

References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

Synonyms

2-苯基-5-(4-联苯基)-1,3,4-噁二唑PBD2-(4-Biphenylyl)-5-phenyl-1,3,4-oxadiazole2-(4-联苯基)-5-苯基-1,3,4-噁二唑2-Phenyl-5-(4-biphenylyl)-1,3,4-oxadiazole

IUPAC name

2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole

IUPAC Traditional name

2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole

Registration numbers

MDL Number

CAS Number

EC Number

Beilstein Number

PubChem SID

PubChem CID

Molecule Details

257850

Application
Suitable as laser dye
Packaging
5 g in glass bottle

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Properties

Safety Information

Storage Temperature

2-8°C

Personal Protective Equipment

Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

German water hazard class

MSDS Link

Download link

Product Information

suitable for liquid scintillation spectrometry

C20H14N2O

99%

Physical Property

HOMO 6.2 eV

LUMO 2.4 eV

167-169 °C(lit.)

Molecule

ID:130982