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Merck
CN

765007

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

99% (HPLC)

Synonym(s):

N2,N2,N2′,N2′,N7,N7,N7′,N7′-octaphenyl-9,9′-spirobi[9H-fluorene]-2,2′,7,7′-tetramine, Spiro-TAD

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About This Item

Empirical Formula (Hill Notation):
C73H52N4
CAS Number:
189363-47-1
Molecular Weight:
985.22
UNSPSC Code:
12352103
PubChem Substance ID:
329767145
MDL number:
MFCD11114061

Key Documents

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Product Name

2,2′,7,7′-Tetrakis(N,N-diphenylamino)-9,9-spirobifluorene, 99% (HPLC)

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

SMILES string

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 key

MQRCTQVBZYBPQE-UHFFFAOYSA-N

assay

99% (HPLC)

form

powder

mp

275-280 °C

λmax

378 μm in THF

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 Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
MKBZ5462V
MKCD6913
MKBR3643V
MKBL5077

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Michael Grimann et al.
The journal of physical chemistry. B, 124(26), 5507-5516 (2020-06-05)
Understanding phase separation phenomena in blends of organic electron acceptor and donor materials is of special interest in the context of organic optoelectronic applications. In this study, we focus on the phase behavior of a special class of spiro-linked compounds
Advanced Materials, 12, 1060-1063 (2000)

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