CID5243871 structure

CID5243871

[2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[4-[2,6-di(propan-2-yl)phenyl]azanidylpentan-2-yl]azanide;ethanol;scandium(3+)

CAS: 7228-34-4
Molecular Formula C43H68N3OSc
Molecular Weight 687.4921 g/mol
LogP 14.6711
Topological Polar Surface Area 72.23 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
Rotatable Bonds 12
Exact Mass 687.4921
Monoisotopic Mass 687.4921
Heavy Atoms 48
Complexity 1181.3527

Chemical Identifiers

CAS Number 7228-34-4
SMILES CCO.CC(C)C1=C(C(=CC=C1)C(C)C)[NH-].CC(C)C1=C(C(=CC=C1)C(C)C)[N-]C(C)CC(C)[N-]C2=C(C=CC=C2C(C)C)C(C)C.[Sc+3]

Product Overview

CID5243871 (CAS 7228-34-4), with molecular formula C43H68N3OSc and molecular weight 687.4921 g/mol. IUPAC: [2,6-di(propan-2-yl)phenyl]azanide;[2,6-di(propan-2-yl)phenyl]-[4-[2,6-di(propan-2-yl)phenyl]azanidylpentan-2-yl]azanide;ethanol;scandium(3+).

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