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2,2',7,7'-Tetrakis(N,N-diphenylamino)-9,9-spirobifluorene

Catalog Number
ACM189363471-2
CAS Number
189363-47-1
Product Name
2,2',7,7'-Tetrakis(N,N-diphenylamino)-9,9-spirobifluorene
Structure
Category
Organic Light-Emitting Diode (OLED) Materials
Synonyms
N2,N2,N2',N2',N7,N7,N7',N7'-octaphenyl-9,9'-spirobi[9H-fluorene]-2,2',7,7'-tetramine,Spiro-TAD
IUPAC Name
2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
Molecular Weight
985.22
Molecular Formula
C73H52N4
Canonical SMILES
c1ccc(cc1)N(c2ccccc2)c3ccc4-c5ccc(cc5C6(c4c3)c7cc(ccc7-c8ccc(cc68)N(c9ccccc9)c%10ccccc%10)N(c%11ccccc%11)c%12ccccc%12)N(c%13ccccc%13)c%14ccccc%14
InChI
1S/C73H52N4/c1-9-25-53(26-10-1)74(54-27-11-2-12-28-54)61-41-45-65-66-46-42-62(75(55-29-13-3-14-30-55)56-31-15-4-16-32-56)50-70(66)73(69(65)49-61)71-51-63(76(57-33-17-5-18-34-57)58-35-19-6-20-36-58)43-47-67(71)68-48-44-64(52-72(68)73)77(59-37-21-7-22-38-59)60-39-23-8-24-40-60/h1-52H,MQRCTQVBZYBPQE-UHFFFAOYSA-N
InChI Key
MQRCTQVBZYBPQE-UHFFFAOYSA-N
Melting Point
275-280 °C
Application
Hole transport materials comprised of a spiro center between two charge transport material (CTM) moieties. This molecular conformation improves the thermal stability of the amorphous state, without significantly altering the charge-transport properties.
Storage
room temp
Assay
99% (HPLC)
Complexity
1470
Covalently-Bonded Unit Count
1
Exact Mass
984.419198g/mol
Form
powder
Formal Charge
0
Heavy Atom Count
77
MDL Number
MFCD11114061
Monoisotopic Mass
984.419198g/mol
Packaging
1 g in glass bottle
Rotatable Bond Count
12
XLogP3
19.3
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