870075-87-9
2-[2-(1-METHYLETHYL)-6-[2-(2,3,6,7-TETRAHYDRO-1,1,7,7-TETRAMETHYL-1H,5H-BENZO[IJ]QUINOLIZIN-9-YL)ETHENYL]-4H-PYRAN-4-YLIDENE]PROPANEDINITRILE
Name2-[2-(1-METHYLETHYL)-6-[2-(2,3,6,7-TETRAHYDRO-1,1,7,7-TETRAMETHYL-1H,5H-BENZO[IJ]QUINOLIZIN-9-YL)ETHENYL]-4H-PYRAN-4-YLIDENE]PROPANEDINITRILE
1Identification
【Name】
2-[2-(1-METHYLETHYL)-6-[2-(2,3,6,7-TETRAHYDRO-1,1,7,7-TETRAMETHYL-1H,5H-BENZO[IJ]QUINOLIZIN-9-YL)ETHENYL]-4H-PYRAN-4-YLIDENE]PROPANEDINITRILE
【CAS】
【MDL】
MFCD09833568
【English Synonyms】
【Formula】
C29 H33 N3 O
【MolWeight】
439.6
【Inchi】
InChI=1S/C29H33N3O/c1-19(2)26-16-21(22(17-30)18-31)15-23(33-26)8-7-20-13-24-27-25(14-20)29(5,6)10-12-32(27)11-9-28(24,3)4/h7-8,13-16,19H,9-12H2,1-6H3/b8-7+
【InChIKey】
InChIKey=UOOBIWAELCOCHK-BQYQJAHWSA-N
【SMILES】
CC(C)C1=CC(=C(C#N)C#N)C=C(O1)/C=C/c2cc3c4c(c2)C(CCN4CCC3(C)C)(C)C
【MOL File】
2-[2-(1-METHYLETHYL)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:9.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[2-(1-METHYLETHYL)-6-[2-(2,3,6,7-TETRAHYDRO-1,1,7,7-TETRAMETHYL-1H,5H-BENZO[IJ]QUINOLIZIN-9-YL)ETHENYL]-4H-PYRAN-4-YLIDENE]PROPANEDINITRILE.cml