[5,15-bis(4-ethynylphenyl)porphyrin]-zinc(II)

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/C36H20N4.Zn/c1-3-23-5-9-25(10-6-23)35-31-17-13-27(37-31)21-29-15-19-33(39-29)36(26-11-7-24(4-2)8-12-26)34-20-16-30(40-34)22-28-14-18-32(35)38-28;/h1-2,5-22H;/q-2;+2/b27-21-,28-22-,29-21-,30-22-,35-31-,35-32-,36-33-,36-34-;, and canonical SMILES descriptor[cheminf_000007]: C#Cc1ccc(cc1)/C/1=C/2\C=CC(=N2)/C=c/2\n3[Zn]n4c1ccc4/C=C\1/C=CC(=N1)/C(=c\3/cc2)/c1ccc(cc1)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-31090 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:0002337 | electrospray ionisation quadrupole detection (ESI Q Trap) CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) CHMO:0000156 | X-ray diffraction (XRD) CHMO:0000630 | infrared absorption spectroscopy (IR) CHMO:0000292 | ultraviolet-visible spectrophotometry (UV-VIS) 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