Hexadecahydro-N,N',N",N"'-tetramethyl-tetrabenzo[26]porphyrinoo-(3,3,3,3)dium bis(trifluoroacetate)

SpectraBase Compound ID	KkNXbHcRlaM
InChI	InChI=1S/C48H56N4.2C2HF3O2/c1-49-41-25-13-27-43-35-19-7-9-21-37(35)45(50(43)2)29-15-31-47-39-23-11-12-24-40(39)48(52(47)4)32-16-30-46-38-22-10-8-20-36(38)44(51(46)3)28-14-26-42(49)34-18-6-5-17-33(34)41;23-2(4,5)1(6)7/h13-16,25-32H,5-12,17-24H2,1-4H3;2(H,6,7)/q+2;;/p-2/b25-13+,26-14+,27-13+,28-14+,29-15+,30-16+,31-15+,32-16+,41-25-,42-26-,43-27-,44-28-,45-29-,46-30-,47-31-,48-32-;;
InChIKey	FEVQJGIPFSSNSD-AEVOJWHVSA-L Google Search
Mol Weight	915.034 g/mol
Molecular Formula	C52H56F6N4O4
Exact Mass	914.420575 g/mol

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SpectraBase Spectrum ID	FC4Pphm9XtD
Name	Hexadecahydro-N,N',N",N"'-tetramethyl-tetrabenzo[26]porphyrinoo-(3,3,3,3)dium bis(trifluoroacetate)
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C52H56F6N4O4
InChI	InChI=1S/C48H56N4.2C2HF3O2/c1-49-41-25-13-27-43-35-19-7-9-21-37(35)45(50(43)2)29-15-31-47-39-23-11-12-24-40(39)48(52(47)4)32-16-30-46-38-22-10-8-20-36(38)44(51(46)3)28-14-26-42(49)34-18-6-5-17-33(34)41;23-2(4,5)1(6)7/h13-16,25-32H,5-12,17-24H2,1-4H3;2(H,6,7)/q+2;;/p-2/b25-13+,26-14+,27-13+,28-14+,29-15+,30-16+,31-15+,32-16+,41-25-,42-26-,43-27-,44-28-,45-29-,46-30-,47-31-,48-32-;;
InChIKey	FEVQJGIPFSSNSD-AEVOJWHVSA-L
Molecular Weight	915.034 g/mol
SMILES	C(C([O-])=O)(F)(F)F.C=12\C=3[N+](=C(C1CCCC2)\C=C\C=C\1N(\C(=C/C=C/C=2C=4CCCCC4\C([N+]2C)=C\C=C\c2[n](c(\C=C\C\3)c3c2CCCC3)C)C2=C1CCCC2)C)C.C(C([O-])=O)(F)(F)F
SPLASH	splash10-0a4i-9300001000-87b56528b9632f806df2
Source of Spectrum	U-1994-509-30
Synonyms	Hexadecahydro-N,N',N'',N'''-tetramethyl-tetrabenzo[26]porphyrinoo-(3,3,3,3)dium bis(trifluoroacetate)
Wiley ID	765783