meso-dodecamethylcalix[6]pyrrole

Properties Image MNX_ID MNXM61486 reference chebi:51393 formula C42H54N6 global charge 0 mol weight 642.936 InChIKey GVMQSTYLYYBMCU-UHFFFAOYSA-N InChI InChI=1S/C42H54N6/c1-37(2)25-13-15-27(43-25)38(3,4)29-17-19-31(45-29)40(7,8)33-21-23-35(47-33)42(11,12)36-24-22-34(48-36)41(9,10)32-20-18-30(46-32)39(5,6)28-16-14-26(37)44-28/h13-24,43-48H,1-12H3 SMILES CC1(C)C2=CC=C(N2)C(C)(C)C2=CC=C(N2)C(C)(C)C2=CC=C(N2)C(C)(C)C2=CC=C(N2)C(C)(C)C2=CC=C(N2)C(C)(C)C2=CC=C1N2 MNX internals InChI (mnx) InChI=1/C42H54N6/c1-37(2)25-13-15-27(43-25)38(3,4)29-17-19-31(45-29)40(7,8)33-21-23-35(47-33)42(11,12)36-24-22-34(48-36)41(9,10)32-20-18-30(46-32)39(5,6)28-16-14-26(37)44-28/h13-24,43-48H,1-12H3 SMILES (mnx) [CH3:1][C:37]1([CH3:2])[C:25]2=[CH:13][CH:15]=[C:27]([C:38]([CH3:3])([CH3:4])[C:29]3=[CH:17][CH:19]=[C:31]([C:40]([CH3:7])([CH3:8])[C:33]4=[CH:21][CH:23]=[C:35]([C:42]([CH3:11])([CH3:12])[C:36]5=[CH:24][CH:22]=[C:34]([C:41]([CH3:9])([CH3:10])[C:32]6=[CH:20][CH:18]=[C:30]([C:39]([CH3:5])([CH3:6])[C:28]7=[CH:16][CH:14]=[C:26]1[NH:44]7)[NH:46]6)[NH:48]5)[NH:47]4)[NH:45]3)[NH:43]2

Parent-child relations graph

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