913633-67-7
1-BUTYL-2-(2-[3-[2-(1-BUTYL-1H-BENZO[CD]INDOL-2-YLIDENE)ETHYLIDENE]-2-CHLORO-CYCLOHEX-1-ENYL]VINYL)BENZO[CD]INDOLIUM TETRAFLUOROBORATE
Name1-BUTYL-2-(2-[3-[2-(1-BUTYL-1H-BENZO[CD]INDOL-2-YLIDENE)ETHYLIDENE]-2-CHLORO-CYCLOHEX-1-ENYL]VINYL)BENZO[CD]INDOLIUM TETRAFLUOROBORATE
FormulaC40 H40 Cl N2 . B F4
1Identification
【Name】
1-BUTYL-2-(2-[3-[2-(1-BUTYL-1H-BENZO[CD]INDOL-2-YLIDENE)ETHYLIDENE]-2-CHLORO-CYCLOHEX-1-ENYL]VINYL)BENZO[CD]INDOLIUM TETRAFLUOROBORATE
【CAS】
【MDL】
MFCD16621129
【English Synonyms】
【Formula】
C40 H40 Cl N2 . B F4
【MolWeight】
671.026
【Inchi】
InChI=1S/C40H40ClN2.BF4/c1-3-5-26-42-34(32-18-8-12-28-14-10-20-36(42)38(28)32)24-22-30-16-7-17-31(40(30)41)23-25-35-33-19-9-13-29-15-11-21-37(39(29)33)43(35)27-6-4-2;2-1(3,4)5/h8-15,18-25H,3-7,16-17,26-27H2,1-2H3;/q+1;-1
【InChIKey】
InChIKey=UTAGKTNDTLMRTI-UHFFFAOYSA-N
【SMILES】
[B-](F)(F)(F)F.CCCCn\1c2cccc3c2c(/c1=C/C=C/4\CCCC(=C4Cl)/C=C/C5=[N+](c6cccc7c6c5ccc7)CCCC)ccc3
【MOL File】
1-BUTYL-2-(2-[3-[2-(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:11.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-BUTYL-2-(2-[3-[2-(1-BUTYL-1H-BENZO[CD]INDOL-2-YLIDENE)ETHYLIDENE]-2-CHLORO-CYCLOHEX-1-ENYL]VINYL)BENZO[CD]INDOLIUM TETRAFLUOROBORATE.cml