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1,8-Dichloro-9,10-bis(phenylethynyl) anthracene

Catalog Number
ACM51749838-2
CAS Number
51749-83-8
Product Name
1,8-Dichloro-9,10-bis(phenylethynyl) anthracene
Structure
Category
Organic Light-Emitting Diode (OLED) Materials
IUPAC Name
1,8-dichloro-9,10-bis(2-phenylethynyl)anthracene
Molecular Weight
447.3g/mol
Molecular Formula
C30H16Cl2
Canonical SMILES
C1=CC=C(C=C1)C#CC2=C3C=CC=C(C3=C(C4=C2C=CC=C4Cl)C#CC5=CC=CC=C5)Cl
InChI
InChI=1S/C30H16Cl2/c31-27-15-7-13-24-23(19-17-21-9-3-1-4-10-21)25-14-8-16-28(32)30(25)26(29(24)27)20-18-22-11-5-2-6-12-22/h1-16H
InChI Key
YONGNHJIWAYNLC-UHFFFAOYSA-N
Complexity
734
Covalently-Bonded Unit Count
1
Exact Mass
446.062906g/mol
Formal Charge
0
Heavy Atom Count
32
Monoisotopic Mass
446.062906g/mol
Rotatable Bond Count
4
XLogP3
9.7
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