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2,2'-biporphyrin

PropertiesImage
MNX_IDMNXM34307 Image of MNXM34307
referencechebi:52543
formulaC40H26N8
global charge0
mol weight618.704
InChIKeyCKRCDHXXHGBZOW-RQLZAZMRSA-N
InChIInChI=1S/C40H26N8/c1-3-25-15-29-9-11-33(45-29)21-39-37(19-35(47-39)17-31-7-5-27(43-31)13-23(1)41-25)38-20-36-18-32-8-6-28(44-32)14-24-2-4-26(42-24)16-30-10-12-34(46-30)22-40(38)48-36/h1-22,41-42,47-48H/b23-13-,24-14-,25-15-,26-16-,27-13-,28-14-,29-15-,30-16-,31-17-,32-18-,33-21-,34-22-,35-17-,36-18-,39-21-,40-22-
SMILESC1=C/C2=C/C3=CC=C(/C=C4/C=CC(=N4)/C=C4NC(=C\C1=N2)\C=C\4C1=C2/C=C4/C=CC(=N4)/C=C4/C=C/C(=C/C5=N/C(=C\C(=C1)N2)C=C5)N4)N3
MNX internals
InChI (mnx)InChI=1/C40H26N8/c1-3-25-15-29-9-11-33(45-29)21-39-37(19-35(47-39)17-31-7-5-27(43-31)13-23(1)41-25)38-20-36-18-32-8-6-28(44-32)14-24-2-4-26(42-24)16-30-10-12-34(46-30)22-40(38)48-36/h1-22,41-42,47-48H/b23-13-,24-14-,25-15-,26-16-,27-13-,28-14-,29-15-,30-16-,31-17-,32-18-,33-21-,34-22-,35-17-,36-18-,39-21-,40-22- Image of MNXM34307
SMILES (mnx)[CH:1]1=[CH:3]\[C:25]2=[CH:15]\[C:29]3=[N:45]/[C:33](=[CH:21]\[C:39]4=[C:37]([C:38]5=[C:40]6/[CH:22]=[C:34]7/[CH:12]=[CH:10][C:30](=[N:46]7)/[CH:16]=[C:26]7/[CH:4]=[CH:2]/[C:24](=[CH:14]/[C:28]8=[N:44]/[C:32](=[CH:18]\[C:36](=[CH:20]5)[NH:48]6)[CH:8]=[CH:6]8)[NH:42]7)[CH:19]=[C:35](/[CH:17]=[C:31]5/[CH:7]=[CH:5][C:27](=[N:43]5)/[CH:13]=[C:23]/1[NH:41]2)[NH:47]4)[CH:11]=[CH:9]3
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:52543
chebi:52543
CKRCDHXXHGBZOW-RQLZAZMRSA-N
2,2'-biporphyrin
2,12'-biporphine
2,12'-biporphyrin