54268-70-1
2-[5-(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)-1,3-PENTADIEN-1-YL]-1,3,3-TRIMETHYL-3H-INDOLIUM CHLORIDE
Name2-[5-(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)-1,3-PENTADIEN-1-YL]-1,3,3-TRIMETHYL-3H-INDOLIUM CHLORIDE
1Identification
【Name】
2-[5-(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)-1,3-PENTADIEN-1-YL]-1,3,3-TRIMETHYL-3H-INDOLIUM CHLORIDE
【CAS】
【MDL】
MFCD16619179
【English Synonyms】
【Formula】
C27 H31 N2 . Cl
【MolWeight】
419.009
【Inchi】
InChI=1S/C27H31N2.ClH/c1-26(2)20-14-10-12-16-22(20)28(5)24(26)18-8-7-9-19-25-27(3,4)21-15-11-13-17-23(21)29(25)6;/h7-19H,1-6H3;1H/q+1;/p-1
【InChIKey】
InChIKey=KVISPVDSKYDJKS-UHFFFAOYSA-M
【SMILES】
CC1(c2ccccc2[N+](=C1/C=C/C=C\C=C\3/C(c4ccccc4N3C)(C)C)C)C.[Cl-]
【MOL File】
2-[5-(1,3-DIHYDRO-1,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[5-(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)-1,3-PENTADIEN-1-YL]-1,3,3-TRIMETHYL-3H-INDOLIUM CHLORIDE.cml