DOI: 10.14272/zdabjyrhapymal-ausihydxsa-a.1
title: C184H168Au2F60N16O16P10Ru8
title: InChI=1S/2C40H24N8.8C10H14.4C6H4O4.2Au.10F5P.10FH.8Ru/c2*1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25;8*1-8(2)10-6-4-9(3)5-7-10;4*7-3-1-4(8)6(10)2-5(3)9;;;10*1-6(2,3,4)5;;;;;;;;;;;;;;;;;;/h2*1-24H;8*4-8H,1-3H3;4*1-2,7,10H;;;;;;;;;;;;;10*1H;;;;;;;;/q2*-2;;;;;;;;;;;;;2*+3;;;;;;;;;;;;;;;;;;;;;8*+2/p-18/b2*37-29-,37-31-,38-30-,38-32-,39-33-,39-35-,40-34-,40-36-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

description: 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/2C40H24N8.8C10H14.4C6H4O4.2Au.10F5P.10FH.8Ru/c2*1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25;8*1-8(2)10-6-4-9(3)5-7-10;4*7-3-1-4(8)6(10)2-5(3)9;;;10*1-6(2,3,4)5;;;;;;;;;;;;;;;;;;/h2*1-24H;8*4-8H,1-3H3;4*1-2,7,10H;;;;;;;;;;;;;10*1H;;;;;;;;/q2*-2;;;;;;;;;;;;;2*+3;;;;;;;;;;;;;;;;;;;;;8*+2/p-18/b2*37-29-,37-31-,38-30-,38-32-,39-33-,39-35-,40-34-,40-36-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;, and canonical SMILES descriptor[cheminf_000007]: n1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[n-]c1cc4)/c1ccncc1)/C=C3)\c1ccncc1)/[n-]2)/c1ccncc1.n1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[n-]c1cc4)/c1ccncc1)/C=C3)\c1ccncc1)/[n-]2)/c1ccncc1.FP(F)(F)(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.FP(F)(F)(F)F.[O-]C1=CC(=O)C(=CC1=O)[O-].[O-]C1=CC(=O)C(=CC1=O)[O-].[O-]C1=CC(=O)C(=CC1=O)[O-].[O-]C1=CC(=O)C(=CC1=O)[O-].Cc1ccc(cc1)C(C)C.Cc1ccc(cc1)C(C)C.Cc1ccc(cc1)C(C)C.Cc1ccc(cc1)C(C)C.Cc1ccc(cc1)C(C)C.Cc1ccc(cc1)C(C)C.Cc1ccc(cc1)C(C)C.Cc1ccc(cc1)C(C)C.[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[F-].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Ru+2].[Au+3].[Au+3], 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-35526 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:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0001181 | 1H-1H only para-hydrogen spectroscopy correlation spectroscopy (1H-1H OPSY-COSY) CHMO:0000484 | desorption electrospray ionisation mass spectrometry (DESIMS) CHMO:0001151 | 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY) 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