599177-24-9
4,5:4',5'-DIBENZO-1,1',3,3,3',3'-HEXAMETHYLINDACARBOCYANINE HEXAFLUOROPHOSPHATE
Name4,5:4',5'-DIBENZO-1,1',3,3,3',3'-HEXAMETHYLINDACARBOCYANINE HEXAFLUOROPHOSPHATE
1Identification
【Name】
4,5:4',5'-DIBENZO-1,1',3,3,3',3'-HEXAMETHYLINDACARBOCYANINE HEXAFLUOROPHOSPHATE
【CAS】
【MDL】
MFCD11616531
【English Synonyms】
【Formula】
C33 H33 N2 . F6 P
【MolWeight】
602.6
【Inchi】
InChI=1S/C33H33N2.F6P/c1-32(2)28(34(5)26-20-18-22-12-7-9-14-24(22)30(26)32)16-11-17-29-33(3,4)31-25-15-10-8-13-23(25)19-21-27(31)35(29)6;1-7(2,3,4,5)6/h7-21H,1-6H3;/q+1;-1
【InChIKey】
InChIKey=YFUKIPVAWNUVSU-UHFFFAOYSA-N
【SMILES】
CC1(c2c3ccccc3ccc2[N+](=C1/C=C/C=C/4\C(c5c6ccccc6ccc5N4C)(C)C)C)C.F[P-](F)(F)(F)(F)F
【MOL File】
4,5:4',5'-DIBENZO-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
4,5:4',5'-DIBENZO-1,1',3,3,3',3'-HEXAMETHYLINDACARBOCYANINE HEXAFLUOROPHOSPHATE.cml