53115-04-1
2,6-BIS[(E)-2-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)ETHYLIDENE]CYCLOHEXANONE
Name2,6-BIS[(E)-2-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)ETHYLIDENE]CYCLOHEXANONE
1Identification
【Name】
2,6-BIS[(E)-2-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)ETHYLIDENE]CYCLOHEXANONE
【CAS】
【MDL】
MFCD02695833
【English Synonyms】
【Formula】
C32 H36 N2 O
【MolWeight】
464.649
【Inchi】
InChI=1S/C32H36N2O/c1-31(2)24-14-7-9-16-26(24)33(5)28(31)20-18-22-12-11-13-23(30(22)35)19-21-29-32(3,4)25-15-8-10-17-27(25)34(29)6/h7-10,14-21H,11-13H2,1-6H3/b22-18+,23-19+,28-20+,29-21+
【InChIKey】
InChIKey=RKPLVFDXQQDKDB-MLAWACMOSA-N
【SMILES】
CC\1(c2ccccc2N(/C1=C/C=C/3\CCC/C(=C\C=C\4/C(c5ccccc5N4C)(C)C)/C3=O)C)C
【MOL File】
2,6-BIS[(E)-2-(1,3,3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:9.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,6-BIS[(E)-2-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)ETHYLIDENE]CYCLOHEXANONE.cml