NAVIGATION


ITIC-M

Catalog Number
ACMA00016172
Product Name
ITIC-M
Structure
Category
Organic Field Effect Transistor (OFET) Materials; Organic Solar Cell (OPV) Materials; Synthetic Tools and Reagents
Description
Band gap: 1.6 eV
IUPAC Name
2-[2-[[20-[[1-(dicyanomethylidene)-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]-3-oxoinden-1-ylidene]propanedinitrile
Molecular Weight
1456
Molecular Formula
C94H82N4O2S4
Canonical SMILES
O=C1C2=C(C=CC=C2)C(/C1=C/C3=CC(S4)=C(S3)C5=C4C(C=C(C(C6=CC=C(C=C6)CCCCCC)(C7=CC=C(C=C7)CCCCCC)C8=C9SC%10=C8SC(/C=C%11C(C(C=CC=C%12)=C%12C/%11=O)=C(C#N)C#N)=C%10)C9=C%13)=C%13C5(C%14=CC=C(C=C%14)CCCCCC)C%15=CC=C(C=C%15)CCCCCC)=C(C#N)C#N
InChI
InChI=1S/C94H82N4O2S4/c1-5-9-13-17-25-59-33-41-65(42-34-59)93(66-43-35-60(36-44-66)26-18-14-10-6-2)79-53-76-80(54-75(79)89-85(93)91-81(103-89)51-69(101-91)49-77-83(63(55-95)56-96)71-29-21-23-31-73(71)87(77)99)94(67-45-37-61(38-46-67)27-19-15-11-7-3,68-47-39-62(40-48-68)28-20-16-12-8-4)86-90(76)104-82-52-70(102-92(82)86)50-78-84(64(57-97)58-98)72-30-22-24-32-74(72)88(78)100/h21-24,29-54H,5-20,25-28H2,1-4H3
InChI Key
HQOWCDPFDSRYRO-UHFFFAOYSA-N
Storage
room temp
Assay
≥97%
Complexity
3040
Covalently-Bonded Unit Count
1
Exact Mass
1427.535417g/mol
Form
solid
Formal Charge
0
Heavy Atom Count
104
Monoisotopic Mass
1426.532063g/mol
Rotatable Bond Count
26
XLogP3
27.5
If you have any other questions or need other size, please get a quote.
  • CAS
  • Size
  • Purity
  • Price
  • Availability
  • Quantity
  • Order
※ Please kindly note that our products are for research use only.
qrcode

Share

Interested in our Services & Products? Need detailed information?
facebook twitter linkedin

Contact Us

Email:
Tel:
Fax:
Address: