NAVIGATION


Catalog Number
ACM936355010
CAS Number
936355-01-0
Product Name
NPNPB
Structure
Category
Organic Light-Emitting Diode (OLED) Materials
IUPAC Name
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
Molecular Weight
823g/mol
Molecular Formula
C60H46N4
Canonical SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=C(C=C8)N(C9=CC=CC=C9)C1=CC=CC=C1
InChI
InChI=1S/C60H46N4/c1-7-19-49(20-8-1)61(50-21-9-2-10-22-50)57-39-43-59(44-40-57)63(53-27-15-5-16-28-53)55-35-31-47(32-36-55)48-33-37-56(38-34-48)64(54-29-17-6-18-30-54)60-45-41-58(42-46-60)62(51-23-11-3-12-24-51)52-25-13-4-14-26-52/h1-46H
InChI Key
XOYZGLGJSAZOAG-UHFFFAOYSA-N
Complexity
1150
Covalently-Bonded Unit Count
1
Exact Mass
822.372247g/mol
Formal Charge
0
Heavy Atom Count
64
Monoisotopic Mass
822.372247g/mol
Rotatable Bond Count
13
XLogP3
16.5
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