1H-Benz[e]indolium, 2-[3-[1,3-dihydro-1,3-dimethyl-1-(phenylmethyl)-2H-benz[e]indol-2-ylidene]-1-propenyl]-1,1,3-trimethyl-, hexafluorophosphate(1-)

727975-91-9

CAS Name

1H-Benz[e]indolium, 2-[3-[1,3-dihydro-1,3-dimethyl-1-(phenylmethyl)-2H-benz[e]indol-2-ylidene]-1-propenyl]-1,1,3-trimethyl-, hexafluorophosphate(1-)

Molecular Formula

C₃₉H₃₇N₂.F₆P

Molecular Mass

678.69

Other Names and Identifiers

InChI

InChI=1S/C39H37N2.F6P/c1-38(2)34(40(4)32-24-22-28-16-9-11-18-30(28)36(32)38)20-13-21-35-39(3,26-27-14-7-6-8-15-27)37-31-19-12-10-17-29(31)23-25-33(37)41(35)5;1-7(2,3,4,5)6/h6-25H,26H2,1-5H3;/q+1;-1

InChIKey

InChIKey=KXHIIFIZJWEQAT-UHFFFAOYSA-N

Canonical SMILES

[F-][P+5]([F-])([F-])([F-])([F-])[F-].C=1C=CC(=CC1)CC2(C(=CC=CC3=[N+](C=4C=CC=5C=CC=CC5C4C3(C)C)C)N(C=6C=CC=7C=CC=CC7C62)C)C

Other Names for this Substance

Deleted or Replaced CAS Registry Numbers

858669-82-6