Molecule ID: 54674038

IUPAC Name: [4-[[4-[4-[2-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-4-oxobutanoyl]amino]ethylamino]-4-oxobutoxy]phenyl]-[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium

Description: The molecule is an iminium ion consisting of malachite green cation, substituted at the para position of the otherwise unsubstituted phenyl group with a diethylene glycol diamine linker, the terminal amino group of which may form part of a fluorogen activating protein (FAP). It has a role as a fluorogen. It derives from a malachite green cation.

SMILES: CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(OCCCC(O)=NCCN=C(O)CCC(O)=NCCOCCOCCN)cc2)cc1

SELFIES: [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Branch1][#C][C][=Branch1][S][=C][C][=C][C][=Branch1][=Branch1][=N+1][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=C][C][=C][Branch2][Ring1][P][O][C][C][C][C][Branch1][C][O][=N][C][C][N][=C][Branch1][C][O][C][C][C][Branch1][C][O][=N][C][C][O][C][C][O][C][C][N][C][=C][Ring2][Ring1][S][C][=C][Ring2][Ring2][S]

InChI: InChI=1S/C39H54N6O6/c1-44(2)33-13-7-30(8-14-33)39(31-9-15-34(16-10-31)45(3)4)32-11-17-35(18-12-32)51-25-5-6-36(46)41-22-23-42-37(47)19-20-38(48)43-24-27-50-29-28-49-26-21-40/h7-18H,5-6,19-29,40H2,1-4H3,(H2-,41,42,43,46,47,48)/p+1

Molecular Properties:
- Polar Surface Area: 147.0 Ų
- LogP: 1.6