(1E,1'E)-N,N'-(Ethane-1,2-diyl)bis[1-(naphthalen-2-yl)ethan-1-imine]

CAS Number: 61484-71-7
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C/C(/c1cc2ccccc2cc1)=N\CC/N=C(\C)/c1cc2ccccc2cc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C26H24N2
Molecular Weight
364.491
Drug-likeness
1.3821
CAS
61484-71-7
InChI key
RJTKAUGAORARED-UMGWWJHGSA-N
SMILES
C/C(/c1cc2ccccc2cc1)=N\CC/N=C(\C)/c1cc2ccccc2cc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 61484-71-7
Molecule Name (1E,1'E)-N,N'-(Ethane-1,2-diyl)bis[1-(naphthalen-2-yl)ethan-1-imine]
Molecular Formula C26H24N2
SMILES C/C(/c1cc2ccccc2cc1)=N\CC/N=C(\C)/c1cc2ccccc2cc1
InChI InChI=1S/C26H24N2/c1-19(23-13-11-21-7-3-5-9-25(21)17-23)27-15-16-28-20(2)24-14-12-22-8-4-6-10-26(22)18-24/h3-14,17-18H,15-16H2,1-2H3/b27-19+,28-20?
InChI Key RJTKAUGAORARED-UMGWWJHGSA-N
CanonicalSyTyLFy f6c3c3edd0539ed
TotalMolweight 364.491
Molecular Weight 364.491
MonoisotopicMass 364.193948
CLogP 5.5386
CLogS -7.54
H Acceptors 2
TotalSurfaceArea 300.2
Relative PSA 0.076682
PolarSurfaceArea 24.72
Drug-likeness 1.3821
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.64286
Molecula Flexibility 0.42919
Molecular Complexity 0.73452
Fragments 1
Non HAtoms 28
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 5
Rings Closures 4
Small Rings 4
Aromatic Rings 4
Aromatic Atoms 20
Sp3Atoms 4
Symmetricatoms 14
BasicNitrogens 2

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