NSC286717 structure

NSC286717

3-tert-butyl-1-[4-(3-tert-butyl-3-cyano-4-oxospiro[azetidine-2,9'-fluorene]-1-yl)phenyl]-4-oxospiro[azetidine-2,9'-fluorene]-3-carbonitrile

Also Known As: Spiro(azetidine-2,9'-(9H)fluorene)-3-carbonitrile, 1,1'-(1,4-phenylene)bis(3-(1,1-dimethylethyl)-4-oxo-|3-tert-butyl-1-[4-(3-tert-butyl-3-cyano-4-oxospiro[azetidine|1,1''-(1,4-Phenylene)bis(3-tert-butyl-4-oxospiro[azetidine-2,9'-fluorene]-3-carbonitrile)|1,1'-(1,4-Phenylene)bis(3-tert-butyl-4-oxospiro[azetidine-2,9'-fluorene]-3-carbonitrile)|3-tert-butyl-1-[4-(3-tert-butyl-3-cyano-4-oxo-spiro[azetidine-2,9'-fluorene]-1-yl)phenyl]-4-oxo-spiro[azetidine-2,9'-fluorene]-3-carbonitrile|3-tert-butyl-1-[4-(3-tert-butyl-3-cyano-4-oxospiro[azetidine-2,9'-fluorene]-1-yl)phenyl]-4-oxospiro[azetidine-2,9'-fluorene]-3-carbonitrile|Spiro[azetidine-2,9'-[9H]fluorene]-3-carbonitrile, 1,1'-(1,4-phenylene)bis[3-(1,1-dimethylethyl)-4-oxo-

CAS: 68161-26-2
Molecular Formula C46H38N4O2
Molecular Weight 678.2995 g/mol
LogP 8.6
Topological Polar Surface Area 88.2 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 4
Exact Mass 678.2995
Monoisotopic Mass 678.2995
Heavy Atoms 52
Complexity 1430.0

Chemical Identifiers

CAS Number 68161-26-2
SMILES CC(C)(C)C1(C(=O)N(C12C3=CC=CC=C3C4=CC=CC=C24)C5=CC=C(C=C5)N6C(=O)C(C67C8=CC=CC=C8C9=CC=CC=C79)(C#N)C(C)(C)C)C#N
InChIKey CKGQAJDWWVYXRF-UHFFFAOYSA-N

Product Overview

NSC286717 (CAS 68161-26-2), with molecular formula C46H38N4O2 and molecular weight 678.2995 g/mol. IUPAC: 3-tert-butyl-1-[4-(3-tert-butyl-3-cyano-4-oxospiro[azetidine-2,9'-fluorene]-1-yl)phenyl]-4-oxospiro[azetidine-2,9'-fluorene]-3-carbonitrile.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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