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125164-39-8 | Cyclohexanone, 2,6-bis[3-[4-(dimethylamino)phenyl]-2-propen-1-ylidene]-
CAS No: 125164-39-8 Catalog No: AG000N9W MDL No:
Product Description
Catalog Number:
AG000N9W
Chemical Name:
Cyclohexanone, 2,6-bis[3-[4-(dimethylamino)phenyl]-2-propen-1-ylidene]-
CAS Number:
125164-39-8
Molecular Formula:
C28H32N2O
Molecular Weight:
412.5665
IUPAC Name:
2,6-bis[3-[4-(dimethylamino)phenyl]prop-2-enylidene]cyclohexan-1-one
InChI:
InChI=1S/C28H32N2O/c1-29(2)26-18-14-22(15-19-26)8-5-10-24-12-7-13-25(28(24)31)11-6-9-23-16-20-27(21-17-23)30(3)4/h5-6,8-11,14-21H,7,12-13H2,1-4H3
InChI Key:
WDAFPEGNJYRORX-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)C=CC=C1CCCC(=CC=Cc2ccc(cc2)N(C)C)C1=O)C
Properties
Complexity:
639
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.251g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.577g/mol
Monoisotopic Mass:
412.251g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
4
XLogP3:
6.6
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