2,6-Bis (4-azidobenzylidene) cyclohexanone

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CAS Number

20237-98-3

Synonyms

(2E,6E) -2,6-bis[ (4-azidophenyl) methylidene]cyclohexan-1-one

MDL Number

MFCD00059878

Purity

85%

Smiles

N#N=Nc1ccc(cc1)C=C3C(=O)C(=Cc2ccc(N=N#N)cc2)CCC3

Chemical Information

2,6-Bis(4-azidobenzylidene)cyclohexanone

See also: Cyclohexanone, 2,6-bis[(4-azidophenyl)methylene]- (annotation moved to).

CAS Number	20237-98-3
PubChem CID	5379057
IUPAC Name	(2E,6E)-2,6-bis[(4-azidophenyl)methylidene]cyclohexan-1-one
Molecular Formula	C20H16N6O
Molecular Weight	356.4
XLogP	6.9
Topological Polar Surface Area	45.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	640

SMILES

C1C/C(=C\C2=CC=C(C=C2)N=[N+]=[N-])/C(=O)/C(=C/C3=CC=C(C=C3)N=[N+]=[N-])/C1

InChI

InChI=1S/C20H16N6O/c21-25-23-18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)27)13-15-6-10-19(11-7-15)24-26-22/h4-13H,1-3H2/b16-12+,17-13+

InChIKey

UZNOMHUYXSAUPB-UNZYHPAISA-N

Chemical Structure

2D Structure

CAS: 20237-98-3

CID: 5379057

Formula: C20H16N6O

MW: 356.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	356.4
XLogP3	6.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	356.13855916
Monoisotopic Mass	356.13855916
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	640
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1079575-01	2,6-Bis (4-Azidobenzylidene) -4-Methylcyclohexanone
PC2242	2,6-Bis (2,2,2-trifluoroacetyl) cyclohexanone
OR1012445-01	Bis (cyclohexanone) oxaldihydrazone
OR480659-01	2,2,6,6-Tetrachloro-cyclohexanone
OR85798-01	4- (2-Hydroxyethyl) cyclohexanone
OR1089027	2- (4-acetylphenyl) -Cyclohexanone
OR1092138	2- (4-methoxyphenyl) cyclohexanone
OR1057380-01	4- (2-Chlorophenyl) cyclohexanone
OR1027545-01	Cyclohexanone 2,4-Dinitrophenylhydrazone
PC450056	4,6-Bis (hydroxy) -4.6-bis (trifluoromethyl) tetrahydropyrimidine-2-one

Catalog	Name
sc-489838	2,6-Bis (4-azidobenzylidene) cyclohexanone
sc-486684	2,6-Bis (4-fluorobenzylidene) cyclohexanone
262677-01	2,6-Bis- (3,4-dimethoxyphenylmethylene) cyclohexanone
TRC-B428200-100MG	2,6-Bis-(3,4-dimethoxyphenylmethylene)cyclohexanone
WLA79262-01	4-Ethyl-2,6-bis (3-pyridinylmethylene) -cyclohexanone
TRC-D465102-5MG	4,4-Dimethyl-cyclohexanone-2,2,6,6-d4
217784	SC66, Akt Inhibitor XVIII ((2E,6E) -2,6-bis (4-Pyridylmethylene) cyclohexanone)
413842-01	2- (4-Methoxyphenyl) cyclohexanone
159176	2- (4-Bromophenyl) cyclohexanone
sc-214787	Cyclohexanone 2,4-dinitrophenylhydrazone