9',9'-bis{4-[bis(2-hydroxyethyl)amino]phenyl}-9,9,9'',9''-tetrahexyl-9H,9'H,9''H-2,2':7',2''-terfluorene

Properties Image MNX_ID MNXM39474 reference chebi:59940 formula C83H100N2O4 global charge 0 mol weight 1189.723 InChIKey VTDYAXACNRTVEN-UHFFFAOYSA-N InChI InChI=1S/C83H100N2O4/c1-5-9-13-21-45-81(46-22-14-10-6-2)75-27-19-17-25-69(75)71-41-29-61(57-77(71)81)63-31-43-73-74-44-32-64(62-30-42-72-70-26-18-20-28-76(70)82(78(72)58-62,47-23-15-11-7-3)48-24-16-12-8-4)60-80(74)83(79(73)59-63,65-33-37-67(38-34-65)84(49-53-86)50-54-87)66-35-39-68(40-36-66)85(51-55-88)52-56-89/h17-20,25-44,57-60,86-89H,5-16,21-24,45-56H2,1-4H3 SMILES CCCCCCC1(CCCCCC)C2=CC(C3=CC=C4C(=C3)C(C3=CC=C(N(CCO)CCO)C=C3)(C3=CC=C(N(CCO)CCO)C=C3)C3=C4C=CC(C4=CC5=C(C=C4)C4=CC=CC=C4C5(CCCCCC)CCCCCC)=C3)=CC=C2C2=C1C=CC=C2 MNX internals InChI (mnx) InChI=1/C83H100N2O4/c1-5-9-13-21-45-81(46-22-14-10-6-2)75-27-19-17-25-69(75)71-41-29-61(57-77(71)81)63-31-43-73-74-44-32-64(62-30-42-72-70-26-18-20-28-76(70)82(78(72)58-62,47-23-15-11-7-3)48-24-16-12-8-4)60-80(74)83(79(73)59-63,65-33-37-67(38-34-65)84(49-53-86)50-54-87)66-35-39-68(40-36-66)85(51-55-88)52-56-89/h17-20,25-44,57-60,86-89H,5-16,21-24,45-56H2,1-4H3 SMILES (mnx) [CH3:1][CH2:5][CH2:9][CH2:13][CH2:21][CH2:45][C:81]1([CH2:46][CH2:22][CH2:14][CH2:10][CH2:6][CH3:2])[C:75]2=[CH:27][CH:19]=[CH:17][CH:25]=[C:69]2[C:71]2=[CH:41][CH:29]=[C:61]([C:63]3=[CH:59][C:79]4=[C:73]([CH:43]=[CH:31]3)[C:74]3=[CH:44][CH:32]=[C:64]([C:62]5=[CH:30][CH:42]=[C:72]6[C:70]7=[CH:26][CH:18]=[CH:20][CH:28]=[C:76]7[C:82]([CH2:47][CH2:23][CH2:15][CH2:11][CH2:7][CH3:3])([CH2:48][CH2:24][CH2:16][CH2:12][CH2:8][CH3:4])[C:78]6=[CH:58]5)[CH:60]=[C:80]3[C:83]4([C:65]3=[CH:34][CH:38]=[C:67]([N:84]([CH2:49][CH2:53][OH:86])[CH2:50][CH2:54][OH:87])[CH:37]=[CH:33]3)[C:66]3=[CH:36][CH:40]=[C:68]([N:85]([CH2:51][CH2:55][OH:88])[CH2:52][CH2:56][OH:89])[CH:39]=[CH:35]3)[CH:57]=[C:77]21

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0