circumpyrene

Properties Image MNX_ID MNXM46885 reference chebi:51401 formula C42H16 global charge 0 mol weight 520.59 InChIKey QYQKNXGEKCVVCL-UHFFFAOYSA-N InChI InChI=1S/C42H16/c1-5-19-13-23-9-10-25-15-21-7-3-18-4-8-22-16-26-12-11-24-14-20-6-2-17(1)27-29(19)37-33(23)35(25)39-31(21)28(18)32(22)40-36(26)34(24)38(30(20)27)41(37)42(39)40/h1-16H SMILES C1=CC2=CC3=CC=C4C=C5C=CC6=C7C8=C(C=C6)C=C6C=CC9=CC%10=CC=C1C1=C2C2=C%11C(=C%101)C9=C6C8=C%11C(=C57)C4=C32 MNX internals InChI (mnx) InChI=1/C42H16/c1-5-19-13-23-9-10-25-15-21-7-3-18-4-8-22-16-26-12-11-24-14-20-6-2-17(1)27-29(19)37-33(23)35(25)39-31(21)28(18)32(22)40-36(26)34(24)38(30(20)27)41(37)42(39)40/h1-16H SMILES (mnx) [CH:1]1=[CH:5][C:19]2=[CH:13][C:23]3=[CH:9][CH:10]=[C:25]4[CH:15]=[C:21]5[CH:7]=[CH:3][C:18]6=[CH:4][CH:8]=[C:22]7[CH:16]=[C:26]8[CH:12]=[CH:11][C:24]9=[CH:14][C:20]%10=[CH:6][CH:2]=[C:17]1[C:27]1=[C:29]2[C:37]2=[C:33]3[C:35]4=[C:39]3[C:31]5=[C:28]6[C:32]7=[C:40]4[C:36]8=[C:34]9[C:38](=[C:30]%101)[C:41]2=[C:42]34

Parent-child relations graph

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