A,D-di-p-benzi[28]hexaphyrin(1.1.1.1.1.1)

Properties Image MNX_ID MNXM39850 reference chebi:47035 formula C82H72N4 global charge 0 mol weight 1113.506 InChIKey LRCARASSIHYXNY-PNIUQBLJSA-N InChI InChI=1S/C82H72N4/c1-47-39-51(5)73(52(6)40-47)79-61-23-25-62(26-24-61)80(74-53(7)41-48(2)42-54(74)8)70-37-33-67(85-70)78(60-21-17-14-18-22-60)68-34-38-72(86-68)82(76-57(11)45-50(4)46-58(76)12)64-29-27-63(28-30-64)81(75-55(9)43-49(3)44-56(75)10)71-36-32-66(84-71)77(59-19-15-13-16-20-59)65-31-35-69(79)83-65/h13-46,83,86H,1-12H3/b77-65-,77-66-,78-67-,78-68-,79-61-,79-69+,80-62-,80-70+,81-63-,81-71+,82-64-,82-72+ SMILES CC1=CC(C)=C(/C2=C3\C=CC(=N3)/C(C3=CC=CC=C3)=C3/C=C/C(=C(\C4=C(C)C=C(C)C=C4C)C4=CC=C(C=C4)/C(C4=C(C)C=C(C)C=C4C)=C4/C=CC(=N4)/C(C4=CC=CC=C4)=C4/C=C/C(=C(\C5=C(C)C=C(C)C=C5C)C5=CC=C2C=C5)N4)N3)C(C)=C1 MNX internals InChI (mnx) InChI=1/C82H72N4/c1-47-39-51(5)73(52(6)40-47)79-61-23-25-62(26-24-61)80(74-53(7)41-48(2)42-54(74)8)70-37-33-67(85-70)78(60-21-17-14-18-22-60)68-34-38-72(86-68)82(76-57(11)45-50(4)46-58(76)12)64-29-27-63(28-30-64)81(75-55(9)43-49(3)44-56(75)10)71-36-32-66(84-71)77(59-19-15-13-16-20-59)65-31-35-69(79)83-65/h13-46,83,86H,1-12H3/b77-65-,77-66?,78-67?,78-68-,79-61?,79-69+,80-62?,80-70+,81-63?,81-71+,82-64?,82-72+ SMILES (mnx) [CH3:1][C:47]1=[CH:39][C:51]([CH3:5])=[C:73]([C:79]2=[C:61]3[CH:23]=[CH:25][C:62](=[C:80]([C:74]4=[C:53]([CH3:7])[CH:41]=[C:48]([CH3:2])[CH:42]=[C:54]4[CH3:8])[C:70]4=[N:85][C:67](=[C:78]([C:60]5=[CH:21][CH:17]=[CH:14][CH:18]=[CH:22]5)[C:68]5=[CH:34][CH:38]=[C:72]([C:82]([C:76]6=[C:57]([CH3:11])[CH:45]=[C:50]([CH3:4])[CH:46]=[C:58]6[CH3:12])=[C:64]6[CH:29]=[CH:27][C:63](=[C:81]([C:75]7=[C:55]([CH3:9])[CH:43]=[C:49]([CH3:3])[CH:44]=[C:56]7[CH3:10])[C:71]7=[N:84][C:66](=[C:77]([C:59]8=[CH:19][CH:15]=[CH:13][CH:16]=[CH:20]8)[C:65]8=[CH:31][CH:35]=[C:69]2[NH:83]8)[CH:32]=[CH:36]7)[CH:28]=[CH:30]6)[NH:86]5)[CH:33]=[CH:37]4)[CH:26]=[CH:24]3)[C:52]([CH3:6])=[CH:40]1

Parent-child relations graph

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