C51H42Cl2Cu2N3P3

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.2ClH.2Cu/c3*1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)17-13-7-8-14-18-17;;;;/h3*1-14H;2*1H;;/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.Cl[Cu].Cl[Cu], and by the IUPAC name[cheminf_000107]: copper(1+);diphenyl(pyridin-2-yl)phosphane;dichloride.

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-14487

The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]: 206.0 (°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