CAS 41105-36-6|2-Chloro-9,10-bis(phenylethynyl)anthracene|2-chloro-9,10-bis(2-phenylethynyl)anthracene|2-chloro-9,10-bis(2-phenylethynyl)anthracene|2-Chloro-9,10-bis(phenylethynyl)anthracene|2-Chlor...

General Information

Structure

Molecular Formula

C₃₀H₁₇Cl

Molecular Mass

412.90898

Exact Mass

412.10187822

Charge

InChI

InChI=1S/C30H17Cl/c31-24-17-20-29-27(18-15-22-9-3-1-4-10-22)25-13-7-8-14-26(25)28(30(29)21-24)19-16-23-11-5-2-6-12-23/h1-14,17,20-21H

InChIKey

YDYTTZZBQVZTPY-UHFFFAOYSA-N

Canonic Smiles

Clc1ccc2c(c1)c(C#Cc1ccccc1)c1c(c2C#Cc2ccccc2)cccc1

Isomeric Smiles

Clc1ccc2c(C#Cc3ccccc3)c3ccccc3c(C#Cc3ccccc3)c2c1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

8.798383

LogD (pH = 7.4)

8.798383

Log P

8.798383

Molar Refractivity

119.4364

Polarizability

51.81918

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Names and Identifiers

Synonyms

2-Chloro-9,10-bis(phenylethynyl)anthracene2-Chloro-9,10-bis(phenylethynyl)anthracene2-Chloro-BPEA2-氯-9,10-双(苯乙炔基)蒽2-Chloro-9,10-bis(phenylethynyl)anthracene

IUPAC Traditional name

2-chloro-9,10-bis(2-phenylethynyl)anthracene

IUPAC name

2-chloro-9,10-bis(2-phenylethynyl)anthracene

Names and Identifiers

Registration numbers

CAS Number

41105-36-6

Chemspider ID

286153

Wikipedia Title

2-Chloro-9,10-bis(phenylethynyl)anthracene

PubChem CID

323135

PubChem SID

24855910162219611

MDL Number

MFCD00012049

Registration numbers

Properties

Physical Property

Melting Point

224 - 226 °C

224-226 °C(lit.)

Product Information

Empirical Formula (Hill Notation)

C30H17Cl

Purity

98%

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Wikipedia

2-Chloro-9,10-bis(phenylethynyl)anthracene

Sigma Aldrich

264164

Application
Reagent for chemiluminescence research.1

Molecule Details

References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

Synonyms

2-Chloro-9,10-bis(phenylethynyl)anthracene2-Chloro-9,10-bis(phenylethynyl)anthracene2-Chloro-BPEA2-氯-9,10-双(苯乙炔基)蒽2-Chloro-9,10-bis(phenylethynyl)anthracene

IUPAC Traditional name

2-chloro-9,10-bis(2-phenylethynyl)anthracene

IUPAC name

2-chloro-9,10-bis(2-phenylethynyl)anthracene

Registration numbers

CAS Number

41105-36-6

Chemspider ID

286153

Wikipedia Title

2-Chloro-9,10-bis(phenylethynyl)anthracene

PubChem CID