5,10,15,20-TETRA-PYREN-1-YL-PORPHYRIN

pro_cas
pro_cdbregno
CCD00774600
pro_formula
C84 H44 N4
pro_molWeight
1109.3

basic_info

Product_Name: 5,10,15,20-TETRA-PYREN-1-YL-PORPHYRIN
EnglishSynonyms: 5,10,15,20-TETRA-PYREN-1-YL-PORPHYRIN
pro_mdlNumber: MFCD09743586
pro_acceptors: 4
pro_donors: 0
pro_smile: c1cc2ccc3ccc(c4c3c2c(c1)cc4)/c/5c/6\ccc(n6)/c(c\7/ccc(n7)/c(c\8/ccc(n8)/c(c\9/ccc5n9)/c1ccc2ccc3cccc4c3c2c1cc4)/c1ccc2ccc3cccc4c3c2c1cc4)/c1ccc2ccc3cccc4c3c2c1cc4
InChi: InChI=1S/C84H44N4/c1-5-45-13-17-53-25-33-61(57-29-21-49(9-1)73(45)77(53)57)81-65-37-39-67(85-65)82(62-34-26-54-18-14-46-6-2-10-50-22-30-58(62)78(54)74(46)50)69-41-43-71(87-69)84(64-36-28-56-20-16-48-8-4-12-52-24-32-60(64)80(56)76(48)52)72-44-42-70(88-72)83(68-40-38-66(81)86-68)63-35-27-55-19-15-47-7-3-11-51-23-31-59(63)79(55)75(47)51/h1-44H/b81-65-,81-66-,82-67-,82-69-,83-68-,83-70-,84-71-,84-72-
InChiKey: InChIKey=QPCBDWJAIUUPQV-DINWVDFOSA-N

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