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2-(4-Bromophenyl)-9-phenyl-1,10-phenanthroline

Catalog Number
ACM197442254-1
CAS Number
197442-25-4
Product Name
2-(4-Bromophenyl)-9-phenyl-1,10-phenanthroline
Category
Organic Light-Emitting Diode (OLED) Materials
Synonyms
1,10-Phenanthroline, 2-(4-bromophenyl)-9-phenyl-
IUPAC Name
2-(4-bromophenyl)-9-phenyl-1,10-phenanthroline
Molecular Weight
411.29
Molecular Formula
C24H15BrN2
Canonical SMILES
C1=CC=C(C=C1)C2=NC3=C(C=CC4=C3N=C(C=C4)C5=CC=C(C=C5)Br)C=C2
InChI
FOJZTDYXDWHDGS-UHFFFAOYSA-N
InChI Key
InChI=1S/C24H15BrN2/c25-20-12-8-17(9-13-20)22-15-11-19-7-6-18-10-14-21(16-4-2-1-3-5-16)26-23(18)24(19)27-22/h1-15H
Purity
98%
Complexity
483
Covalently-Bonded Unit Count
1
Exact Mass
410.04186g/mol
Formal Charge
0
Heavy Atom Count
27
Isomeric SMILES
C1=CC=C(C=C1)C2=NC3=C(C=CC4=C3N=C(C=C4)C5=CC=C(C=C5)Br)C=C2
Monoisotopic Mass
410.04186g/mol
Rotatable Bond Count
2
XLogP3
6.5
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