DOI: 10.14272/rblomtdgmxopak-uhfffaoysa-n.1
title: C98H76S21Si2
title: InChI=1S/C98H76S21Si2/c1-49-15-23-63(99-49)57-43-81(113-91(57)73-27-19-53(5)103-73)69-33-31-67(107-69)61-47-85(117-95(61)77-37-35-71(109-77)83-45-59(65-25-17-51(3)101-65)93(115-83)75-29-21-55(7)105-75)89-90(98(80-40-42-88(112-80)121(12,13)14)119-97(89)79-39-41-87(111-79)120(9,10)11)86-48-62(68-32-34-70(108-68)82-44-58(64-24-16-50(2)100-64)92(114-82)74-28-20-54(6)104-74)96(118-86)78-38-36-72(110-78)84-46-60(66-26-18-52(4)102-66)94(116-84)76-30-22-56(8)106-76/h15-48H,1-14H3

description: 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/C98H76S21Si2/c1-49-15-23-63(99-49)57-43-81(113-91(57)73-27-19-53(5)103-73)69-33-31-67(107-69)61-47-85(117-95(61)77-37-35-71(109-77)83-45-59(65-25-17-51(3)101-65)93(115-83)75-29-21-55(7)105-75)89-90(98(80-40-42-88(112-80)121(12,13)14)119-97(89)79-39-41-87(111-79)120(9,10)11)86-48-62(68-32-34-70(108-68)82-44-58(64-24-16-50(2)100-64)92(114-82)74-28-20-54(6)104-74)96(118-86)78-38-36-72(110-78)84-46-60(66-26-18-52(4)102-66)94(116-84)76-30-22-56(8)106-76/h15-48H,1-14H3, and canonical SMILES descriptor[cheminf_000007]: Cc1ccc(s1)c1sc(cc1c1ccc(s1)C)c1ccc(s1)c1cc(sc1c1ccc(s1)c1cc(c(s1)c1ccc(s1)C)c1ccc(s1)C)c1c(sc(c1c1cc(c(s1)c1ccc(s1)c1cc(c(s1)c1ccc(s1)C)c1ccc(s1)C)c1ccc(s1)c1cc(c(s1)c1ccc(s1)C)c1ccc(s1)C)c1ccc(s1)[Si](C)(C)C)c1ccc(s1)[Si](C)(C)C, and by the IUPAC name[cheminf_000107]: .
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 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-51654

 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:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H 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