7-(9,9'-spirobi[fluoren]-2-yl)quinolino[3,2,1-de]acridine-5,9-dione

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/C45H25NO2/c47-43-32-14-4-9-19-40(32)46-41-20-10-5-15-33(41)44(48)35-24-27(23-34(43)42(35)46)26-21-22-31-30-13-3-8-18-38(30)45(39(31)25-26)36-16-6-1-11-28(36)29-12-2-7-17-37(29)45/h1-25H, and canonical SMILES descriptor[cheminf_000007]: O=c1c2cc(cc3c2n(c2c1cccc2)c1c(c3=O)cccc1)c1ccc2-c3c(C4(c2c1)c1ccccc1-c1c4cccc1)cccc3, 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-35650

The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
Melting point descriptor[CHEMINF_000256]: 224.0 (°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:0000498 | high-resolution mass spectrometry (HRMS)

CHMO:0000563 | fast-atom bombardment mass spectrometry (FABMS)

CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

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

CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

CHMO:0000630 | infrared absorption spectroscopy (IR)

CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)

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