Products for Research Use Only
RegisterLogin

ITIC-4F

CAT: 0013-GTR19202684-01Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19202684-01Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
ITIC-4F is an indacenodithienothiophene-based non-fullerene electron acceptor. It is widely used in high-performance polymer solar cell research, including binary, ternary single-junction, and tandem device architectures, for in vitro optoelectronic material investigations.
CAS Number
2097998-59-7
Field of Research
Cell Biology, Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
CCCCCCc1ccc (cc1) C1 (c2cc3-c4sc5cc (\C=C6/C (=O) c7cc (F) c (F) cc7C6=C (C#N) C#N) sc5c4C (c3cc2-c2sc3cc (\C=C4\C (=O) c5cc (F) c (F) cc5C4=C (C#N) C#N) sc3c12) (c1ccc (CCCCCC) cc1) c1ccc (CCCCCC) cc1) c1ccc (CCCCCC) cc1
Molecular Formula
C94H78F4N4O2S4
Molecular Weight
1499.92
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Itic-4F
CAS Number2097998-59-7
PubChem CID135395313
IUPAC Name2-[(2Z)-2-[[20-[(Z)-[1-(dicyanomethylidene)-5,6-difluoro-3-oxoinden-2-ylidene]methyl]-12,12,24,24-tetrakis(4-hexylphenyl)-5,9,17,21-tetrathiaheptacyclo[13.9.0.03,13.04,11.06,10.016,23.018,22]tetracosa-1(15),2,4(11),6(10),7,13,16(23),18(22),19-nonaen-8-yl]methylidene]-5,6-difluoro-3-oxoinden-1-ylidene]propanedinitrile
Molecular FormulaC94H78F4N4O2S4
Molecular Weight1499.9
XLogP27.9
Topological Polar Surface Area242
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count26
Heavy Atom Count108
Formal Charge0
Complexity3210
SMILES
CCCCCCC1=CC=C(C=C1)C2(C3=CC4=C(C=C3C5=C2C6=C(S5)C=C(S6)/C=C\7/C(=C(C#N)C#N)C8=CC(=C(C=C8C7=O)F)F)C(C9=C4SC1=C9SC(=C1)/C=C\1/C(=C(C#N)C#N)C2=CC(=C(C=C2C1=O)F)F)(C1=CC=C(C=C1)CCCCCC)C1=CC=C(C=C1)CCCCCC)C1=CC=C(C=C1)CCCCCC
InChI
InChI=1S/C94H78F4N4O2S4/c1-5-9-13-17-21-55-25-33-61(34-26-55)93(62-35-27-56(28-36-62)22-18-14-10-6-2)75-45-72-76(46-71(75)89-85(93)91-81(107-89)43-65(105-91)41-73-83(59(51-99)52-100)67-47-77(95)79(97)49-69(67)87(73)103)94(63-37-29-57(30-38-63)23-19-15-11-7-3,64-39-31-58(32-40-64)24-20-16-12-8-4)86-90(72)108-82-44-66(106-92(82)86)42-74-84(60(53-101)54-102)68-48-78(96)80(98)50-70(68)88(74)104/h25-50H,5-24H2,1-4H3/b73-41-,74-42-
InChIKey
JOZQXSUYCMNTCH-ODDCUFEPSA-N
Chemical Structure
2D Structure
2D structure of Itic-4F
CAS: 2097998-59-7
CID: 135395313
Formula: C94H78F4N4O2S4
MW: 1499.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1499.9
XLogP327.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count26
Exact Mass1499.49772992
Monoisotopic Mass1498.49437509
Topological Polar Surface Area242 Ų
Heavy Atom Count108
Formal Charge0
Complexity3210
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19202683ITIC
GTR19249815-01MI-4F
GTR19279677-014F-Docetaxel
GTR19274098-014F-PMPH
GTR19262448-014F-DDC
GTR19334632-01Fura-4F AM
GTR19172681-014F 4PP oxalate
GTR19334631-01Fura-4F pentapotassium
GTR19156116-014F 4PP oxalate
GTR18597614-01Semaphorin 4F Rabbit pAb

Alternative Products

CatalogName
C8155-50ITIC-4F
A18480-25ITIC-4F 25mg
A18480-100ITIC-4F 100mg
A18480-10ITIC-4F 10mg
A18480-1ITIC-4F 1mg
A18480-50ITIC-4F 50mg
A18480-5ITIC-4F 5mg
HY-125830-01ITIC
A18483-1ITIC 1mg
A18483-50ITIC 50mg

Popular Products