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2-(4-Bromo-Naphthalenyl)Phenanthroline

Catalog Number
ACM1853997279
CAS Number
1853997-27-9
Product Name
2-(4-Bromo-Naphthalenyl)Phenanthroline
Category
Organic Light-Emitting Diode (OLED) Materials
IUPAC Name
2-(4-bromonaphthalen-1-yl)-1,10-phenanthroline
Molecular Weight
385.3g/mol
Molecular Formula
C22H13BrN2
Canonical SMILES
C1=CC=C2C(=C1)C(=CC=C2Br)C3=NC4=C(C=CC5=C4N=CC=C5)C=C3
InChI
InChI=1S/C22H13BrN2/c23-19-11-10-18(16-5-1-2-6-17(16)19)20-12-9-15-8-7-14-4-3-13-24-21(14)22(15)25-20/h1-13H
InChI Key
SDIWOGAFYQXTHJ-UHFFFAOYSA-N
Complexity
469
Covalently-Bonded Unit Count
1
Exact Mass
384.02621g/mol
Formal Charge
0
Heavy Atom Count
25
Monoisotopic Mass
384.02621g/mol
Rotatable Bond Count
1
XLogP3
6.1
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