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Catalog Number
ACM1644381952
Product Name
FBR
Structure
CAS
1644381-95-2
Category
Organic Field Effect Transistor (OFET) Materials
Synonyms
1-(3-Butoxycarbonylpropyl)-1-phenyl-[6.6]C61
Description
Band gap: 1.59 eV
IUPAC Name
(5Z)-3-ethyl-5-[[4-[7-[7-[(Z)-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2,1,3-benzothiadiazol-4-yl]-9,9-dioctylfluoren-2-yl]-2,1,3-benzothiadiazol-7-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Molecular Weight
1001.44
Molecular Formula
C53H56N6O2S6
Canonical SMILES
CCCCCCCCC1(C2=C(C=CC(=C2)C3=CC=C(C4=NSN=C34)C=C5C(=O)N(C(=S)S5)CC)C6=C1C=C(C=C6)C7=CC=C(C8=NSN=C78)C=C9C(=O)N(C(=S)S9)CC)CCCCCCCC
InChI
InChI=1S/C53H56N6O2S6/c1-5-9-11-13-15-17-27-53(28-18-16-14-12-10-6-2)41-29-33(37-23-21-35(45-47(37)56-66-54-45)31-43-49(60)58(7-3)51(62)64-43)19-25-39(41)40-26-20-34(30-42(40)53)38-24-22-36(46-48(38)57-67-55-46)32-44-50(61)59(8-4)52(63)65-44/h19-26,29-32H,5-18,27-28H2,1-4H3/b43-31-,44-32-
InChI Key
OLBOENQKGKQCJD-XOTMQJHLSA-N
Melting Point
>280 ℃
Solubility
soluble in Chlorobenzene
Storage
room temp
Complexity
1700
Covalently-Bonded Unit Count
1
Exact Mass
1000.278902g/mol
Form
solid
Formal Charge
0
Hazard Statements
H315 H319 H335
Heavy Atom Count
67
Monoisotopic Mass
1000.278902g/mol
Precautionary Statements
P261 P305+P351+P338
Rotatable Bond Count
20
Signal Word
Warning
XLogP3
17.8
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