C51H42Br2Cu2N3P3

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/3C17H14NP.2BrH.2Cu/c31-3-9-15(10-4-1)19(16-11-5-2-6-12-16)17-13-7-8-14-18-17;;;;/h31-14H;21H;;/q;;;;;2+1/p-2, and canonical SMILES descriptor[cheminf_000007]: c1ccc(cc1)P(c1ccccn1)c1ccccc1.c1ccc(cc1)P(c1ccccn1)c1ccccc1.c1ccc(cc1)P(c1ccccn1)c1ccccc1.[Cu]Br.[Cu]Br, 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-14480

  The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
  Melting point descriptor[CHEMINF_000256]: 226.0 (°C)
  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:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)

    CHMO:0000739 | 31P nuclear magnetic resonance spectroscopy (31P NMR)

    CHMO:0000470 | mass spectrometry (MS)

    CHMO:0000630 | infrared absorption spectroscopy (IR)

    CHMO:0000159 | single crystal X-ray diffraction (single-crystal X-ray diffraction)

  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