38575-74-5
1,1',3,3,3',3'-HEXAMETHYLINDODICARBOCYANINE TETRAFLUOROBORATE, BORATE(1-), TETRAFLUORO-, 2-[5-(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)-1,4-PENTADIENYL]-1,3,3-TRIMETHYL-3H-INDOLIUM
Name1,1',3,3,3',3'-HEXAMETHYLINDODICARBOCYANINE TETRAFLUOROBORATE, BORATE(1-), TETRAFLUORO-, 2-[5-(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)-1,4-PENTADIENYL]-1,3,3-TRIMETHYL-3H-INDOLIUM
1Identification
【Name】
1,1',3,3,3',3'-HEXAMETHYLINDODICARBOCYANINE TETRAFLUOROBORATE, BORATE(1-), TETRAFLUORO-, 2-[5-(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)-1,4-PENTADIENYL]-1,3,3-TRIMETHYL-3H-INDOLIUM
【CAS】
【MDL】
MFCD00562475
【English Synonyms】
1,1',3,3,3',3'-HEXAMETHYLINDODICARBOCYANINE TETRAFLUOROBORATE, BORATE(1-), TETRAFLUORO-, 2-[5-(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)-1,4-PENTADIENYL]-1,3,3-TRIMETHYL-3H-INDOLIUM
【Formula】
C27 H31 N2 . B F4
【MolWeight】
470.359
【Inchi】
InChI=1S/C27H31N2.BF4/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;2-1(3,4)5/h7-19H,1-6H3;/q+1;-1
【InChIKey】
InChIKey=USJIDBJWISIARO-UHFFFAOYSA-N
【SMILES】
[B-](F)(F)(F)F.CC1(c2ccccc2[N+](=C1/C=C/C=C/C=C\3/C(c4ccccc4N3C)(C)C)C)C
【MOL File】
1,1',3,3,3',3'-HEXAM….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
1,1',3,3,3',3'-HEXAMETHYLINDODICARBOCYANINE TETRAFLUOROBORATE, BORATE(1-), TETRAFLUORO-, 2-[5-(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)-1,4-PENTADIENYL]-1,3,3-TRIMETHYL-3H-INDOLIUM.cml