C64H20F28N8Zn

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/C64H20F28N8.Zn/c65-41-17-37-38(18-42(41)66)51-93-49(37)95-53-45-33(21-5-25(57(69,70)71)13-26(6-21)58(72,73)74)1-2-34(22-7-27(59(75,76)77)14-28(8-22)60(78,79)80)46(45)54(99-53)96-50-39-19-43(67)44(68)20-40(39)52(94-50)98-56-48-36(24-11-31(63(87,88)89)16-32(12-24)64(90,91)92)4-3-35(47(48)55(97-51)100-56)23-9-29(61(81,82)83)15-30(10-23)62(84,85)86;/h1-20H;/q-2;+2, and canonical SMILES descriptor[cheminf_000007]: Fc1cc2/C/3=N/c4c5c(ccc(c5c5n4[Zn]n4/c(=N\C(=N3)c2cc1F)/c1c(ccc(c1/c/4=N/C1=N/C(=N\5)/c2cc(F)c(cc12)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F, 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-31288

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:0000156 | X-ray diffraction (XRD)

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

CHMO:0000597 | 19F nuclear magnetic resonance spectroscopy (19F NMR)

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