2-[[5-[5-[10-[5-[5-(2,2-dicyanoethenyl)-3-hexylthiophen-2-yl]-3-hexylthiophen-2-yl]-7,7-dioctyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]methylidene]propanedinitrile

This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
InChI descriptor[cheminf_000113]: InChI=1S/C72H94N4S6Si/c1-7-13-19-25-27-33-39-83(40-34-28-26-20-14-8-2)65-47-63(69-57(37-31-23-17-11-5)45-61(79-69)67-55(35-29-21-15-9-3)43-59(77-67)41-53(49-73)50-74)81-71(65)72-66(83)48-64(82-72)70-58(38-32-24-18-12-6)46-62(80-70)68-56(36-30-22-16-10-4)44-60(78-68)42-54(51-75)52-76/h41-48H,7-40H2,1-6H3, and canonical SMILES descriptor[cheminf_000007]: CCCCCCCC[Si]1(CCCCCCCC)c2cc(sc2-c2c1cc(s2)c1sc(cc1CCCCCC)c1sc(cc1CCCCCC)C=C(C#N)C#N)c1sc(cc1CCCCCC)c1sc(cc1CCCCCC)C=C(C#N)C#N, and by the IUPAC name[cheminf_000107]: 2-[[5-[5-[10-[5-[5-(2,2-dicyanoethenyl)-3-hexylthiophen-2-yl]-3-hexylthiophen-2-yl]-7,7-dioctyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-4-hexylthiophen-2-yl]-4-hexylthiophen-2-yl]methylidene]propanedinitrile.

The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:

CC(O)=O

The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-58610

The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]:
Boiling point descriptor[CHEMINF_000257]:
Refractive index descriptor[CHEMINF_000253]:

The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:

CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)

CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)

CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)

CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)

CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)

The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID:

Used ontologies:
CHEBI - Chemical Entities of Biological Interest
CHEMINF - chemical information ontology (information entities about chemical entities)
CHMO - Chemical Methods Ontology
OBI - Ontology for Biomedical Investigations