C68H56Br2Cu2N4P4

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/4C17H14NP.2BrH.2Cu/c4*1-3-8-15(9-4-1)19(16-10-5-2-6-11-16)17-12-7-13-18-14-17;;;;/h4*1-14H;2*1H;;/q;;;;;;2*+1/p-2, and canonical SMILES descriptor[cheminf_000007]: c1ccc(cc1)P(c1cccnc1)c1ccccc1.c1ccc(cc1)P(c1cccnc1)c1ccccc1.c1ccc(cc1)P(c1cccnc1)c1ccccc1.c1ccc(cc1)P(c1cccnc1)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-35334

The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]: 300.0 (°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:0000889 | proton-decoupled 31P nuclear magnetic resonance spectroscopy (31P{1H}-NMR)

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

CHMO:0000931 | heteronuclear two-dimensional nuclear magnetic resonance spectroscopy (heteronuclear 2D NMR)

CHMO:0000598 | two-dimensional nuclear magnetic resonance spectroscopy (2D NMR)

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

CHMO:0000482 | electrospray ionisation mass spectrometry (ESMS)

CHMO:0000630 | infrared absorption spectroscopy (IR)

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

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