Dataset

process

dataset for process

Chemical Information

molecular Image
InChI InChI=1S/C51H35NOS4/c1-3-35-28-33-4-5-34-7-9-37(11-10-36(35)8-6-33)40(29-34)16-25-45-30-50-51(55-45)32-48(57-50)39-14-19-42(20-15-39)52(43-21-23-44(53-2)24-22-43)41-17-12-38(13-18-41)47-31-49-46(56-47)26-27-54-49/h1,6-9,12-15,17-24,26-32H,4-5,10-11H2,2H3
SMILES COc1ccc(cc1)N(c1ccc(cc1)c1cc2c(s1)ccs2)c1ccc(cc1)c1cc2c(s1)cc(s2)C#Cc1cc2CCc3ccc(CCc1cc2)c(c3)C#C
InChI Key CPWLYTQJHPSSFQ-UHFFFAOYSA-N
Molecular Formula C51H35NOS4
Exact Mass 806.090 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CPWLYTQJHPSSFQ-UHFFFAOYSA-N/BFO0000015
License URL
Source https://www.chemotion-repository.net/inchikey/CPWLYTQJHPSSFQ-UHFFFAOYSA-N/BFO0000015
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-06-05
Related Molecule
  • N-[4-[2-[2-(12-ethynyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)ethynyl]thieno[3,2-b]thiophen-5-yl]phenyl]-N-(4-methoxyphenyl)-4-thieno[3,2-b]thiophen-5-ylaniline
    • Field Value
    Measurement Technique process
    Measurement Variables
    title : Sep04-2024

    date : 20240904

    starting time : 14.50 h

    label : HT-1492

    id : 323082

    Solvent : CD2Cl2

    temperature : 298.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.