AC1MI3U9 structure

AC1MI3U9

8-(hydroxy-phenyl-pyridin-2-ylmethyl)-4-octyl-10-[phenyl(pyridin-2-yl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Also Known As: 5-Norbornene-2,3-dicarboximide, 5-(alpha-hydroxy-alpha-2-pyridylbenzyl)-N-octyl-7-(alpha-2-pyridylbenzylidene)-, endo-

CAS: 5014-10-8
Molecular Formula C41H41N3O3
Molecular Weight 623.3148 g/mol
LogP 6.7
Topological Polar Surface Area 83.4 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 12
Exact Mass 623.3148
Monoisotopic Mass 623.3148
Heavy Atoms 47
Complexity 1180.0

Chemical Identifiers

CAS Number 5014-10-8
SMILES CCCCCCCCN1C(=O)C2C3C=C(C(C2C1=O)C3=C(C4=CC=CC=C4)C5=CC=CC=N5)C(C6=CC=CC=C6)(C7=CC=CC=N7)O
InChIKey AMTGVRLUZLKRSQ-UHFFFAOYSA-N

Product Overview

AC1MI3U9 (CAS 5014-10-8), with molecular formula C41H41N3O3 and molecular weight 623.3148 g/mol. IUPAC: 8-(hydroxy-phenyl-pyridin-2-ylmethyl)-4-octyl-10-[phenyl(pyridin-2-yl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

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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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