Molecule

2-[[5-[14-[5-(2,2-dicyanoethenyl)-4-hexylthiophen-2-yl]-17-heptadecan-9-yl-3-(2-octyldecyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-yl]-3-hexylthiophen-2-yl]methylidene]propanedinitrile

Chemical Information

Molecular Image
InChI InChI=1S/C75H104N6S5/c1-7-13-19-25-29-33-39-56(40-34-30-26-20-14-8-2)55-80-62-49-68(66-47-59(41-35-23-17-11-5)64(82-66)45-57(51-76)52-77)84-72(62)74-70(80)71-75(86-74)73-63(81(71)61(43-37-31-27-21-15-9-3)44-38-32-28-22-16-10-4)50-69(85-73)67-48-60(42-36-24-18-12-6)65(83-67)46-58(53-78)54-79/h45-50,56,61H,7-44,55H2,1-6H3
SMILES CCCCCCCCC(Cn1c2cc(sc2c2c1c1c(s2)c2c(n1C(CCCCCCCC)CCCCCCCC)cc(s2)c1cc(c(s1)C=C(C#N)C#N)CCCCCC)c1cc(c(s1)C=C(C#N)C#N)CCCCCC)CCCCCCCC
InChI Key KUOCHNVVGBIYKU-UHFFFAOYSA-N
Exact Mass 1249.993 g/mol

Metadata Information

Field Value
NFDI4Chem Molecule ID nfdi4chem-mol9605
Source
Alternate Name
    Field Value
    No additional information available for this Dataset.
    Data-Source Molecule ID Data-Source
    176528077 pubchem
    The data in this table is sourced from UniChem at EBI.