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5,5',10,10',20,20'-Hexaphenyl-5,5'-biporphyrin
SpectraBase Compound ID 8G6SpxoiAxw
InChI InChI=1S/C76H50N8/c1-7-19-47(20-8-1)69-53-31-35-57(77-53)71(49-23-11-3-12-24-49)61-39-43-65(81-61)75(66-44-40-62(82-66)72(50-25-13-4-14-26-50)58-36-32-54(69)78-58)76-67-45-41-63(83-67)73(51-27-15-5-16-28-51)59-37-33-55(79-59)70(48-21-9-2-10-22-48)56-34-38-60(80-56)74(52-29-17-6-18-30-52)64-42-46-68(76)84-64/h1-46,77,79,82,84H/b69-53-,69-54-,70-55-,70-56-,71-57-,71-61-,72-58-,72-62-,73-59-,73-63-,74-60-,74-64-,75-65+,75-66+,76-67+,76-68+
InChIKey VEMCLMWCBHBJFE-KHLRICTFSA-N
Mol Weight 1075.3 g/mol
Molecular Formula C76H50N8
Exact Mass 1074.415844 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4iEwuUCNks
Name 5,5',10,10',20,20'-Hexaphenyl-5,5'-biporphyrin
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C76H50N8
InChI InChI=1S/C76H50N8/c1-7-19-47(20-8-1)69-53-31-35-57(77-53)71(49-23-11-3-12-24-49)61-39-43-65(81-61)75(66-44-40-62(82-66)72(50-25-13-4-14-26-50)58-36-32-54(69)78-58)76-67-45-41-63(83-67)73(51-27-15-5-16-28-51)59-37-33-55(79-59)70(48-21-9-2-10-22-48)56-34-38-60(80-56)74(52-29-17-6-18-30-52)64-42-46-68(76)84-64/h1-46,77,79,82,84H/b69-53-,69-54-,70-55-,70-56-,71-57-,71-61-,72-58-,72-62-,73-59-,73-63-,74-60-,74-64-,75-65+,75-66+,76-67+,76-68+
InChIKey VEMCLMWCBHBJFE-KHLRICTFSA-N
Molecular Weight 1075.292 g/mol
SMILES [nH]1c2c(c3nc(c(-c4c5nc(c(c6ccc(c(c7nc(c(c8[nH]c4cc8)-c4ccccc4)cc7)-c4ccccc4)[nH]6)-c4ccccc4)cc5)c4ccc(c(c5nc(c(c1cc2)-c1ccccc1)cc5)-c1ccccc1)[nH]4)cc3)-c1ccccc1
SPLASH splash10-00b9-9000000000-cd770285201d806b297b
Source of Spectrum KC-0-3620-37
Synonyms Bis(10,15,20-triphenylporphyrin-5-yl) 5,5',10,10',20,20'-Hexaphenyl-15,15'-biporphyrin
Wiley ID 831923