14664-57-4
2-[5-(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)-2-PHENYL-1,3-PENTADIEN-1-YL]-1,3,3-TRIMETHYL-3H-INDOLIUM PERCHLORATE
Name2-[5-(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)-2-PHENYL-1,3-PENTADIEN-1-YL]-1,3,3-TRIMETHYL-3H-INDOLIUM PERCHLORATE
FormulaC33 H35 N2 . Cl O4
1Identification
【Name】
2-[5-(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)-2-PHENYL-1,3-PENTADIEN-1-YL]-1,3,3-TRIMETHYL-3H-INDOLIUM PERCHLORATE
【CAS】
【MDL】
MFCD07433725
【English Synonyms】
【Formula】
C33 H35 N2 . Cl O4
【MolWeight】
559.102
【Inchi】
InChI=1S/C33H35N2.ClHO4/c1-32(2)26-18-10-12-20-28(26)34(5)30(32)22-14-17-25(24-15-8-7-9-16-24)23-31-33(3,4)27-19-11-13-21-29(27)35(31)6;2-1(3,4)5/h7-23H,1-6H3;(H,2,3,4,5)/q+1;/p-1
【InChIKey】
InChIKey=CAPREBCNQOSRLV-UHFFFAOYSA-M
【SMILES】
CC1(c2ccccc2[N+](=C1/C=C/C=C(/C=C\3/C(c4ccccc4N3C)(C)C)\c5ccccc5)C)C.[O-]Cl(=O)(=O)=O
【MOL File】
2-[5-(1,3-DIHYDRO-1,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[5-(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)-2-PHENYL-1,3-PENTADIEN-1-YL]-1,3,3-TRIMETHYL-3H-INDOLIUM PERCHLORATE.cml