Copper, [2,7,12,17-tetraheptyl-3,8,13,18-tetramethyl-21H,23H-porphinato(2-)-N 21,N22,N23,N24]-, (SP-4-1)-

SpectraBase Compound ID	E5Mb5T3kPv9
InChI	InChI=1S/C52H76N4.Cu/c1-9-13-17-21-25-29-41-37(5)45-34-50-43(31-27-23-19-15-11-3)39(7)47(55-50)36-52-44(32-28-24-20-16-12-4)40(8)48(56-52)35-51-42(30-26-22-18-14-10-2)38(6)46(54-51)33-49(41)53-45;/h33-36H,9-32H2,1-8H3;/q-2;+2/b45-34-,46-33-,47-36-,48-35-,49-33-,50-34-,51-35-,52-36-;
InChIKey	XQFCRZFVWUYSJQ-AACRXMICSA-N Google Search
Mol Weight	820.8 g/mol
Molecular Formula	C52H76CuN4
Exact Mass	819.536595 g/mol

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SpectraBase Spectrum ID	IU5GRzEdhQ6
Name	Copper, [2,7,12,17-tetraheptyl-3,8,13,18-tetramethyl-21H,23H-porphinato(2-)-N 21,N22,N23,N24]-, (SP-4-1)-
Alternate Name(s)	(2,4,6,8-tetra(n-heptyl)-1,3,5,7-tetramethylporphyrinato)-copper(II) 21H,23H-porphine, 2,7,12,17-tetraheptyl-3,8,13,18-tetramethyl-, copper complex 4,9,14,19-tetraheptyl-5,10,15,20-tetramethyl-21,23,24,25-tetraaza-22-cuprahexacyclo[9.9.3.1(3,6).1(13,16).0(8,23).0(18,21)]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaene
CAS Registry Number	69912-59-0
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C52H76CuN4
InChI	InChI=1S/C52H76N4.Cu/c1-9-13-17-21-25-29-41-37(5)45-34-50-43(31-27-23-19-15-11-3)39(7)47(55-50)36-52-44(32-28-24-20-16-12-4)40(8)48(56-52)35-51-42(30-26-22-18-14-10-2)38(6)46(54-51)33-49(41)53-45;/h33-36H,9-32H2,1-8H3;/q-2;+2/b45-34-,46-33-,47-36-,48-35-,49-33-,50-34-,51-35-,52-36-;
InChIKey	XQFCRZFVWUYSJQ-AACRXMICSA-N
Molecular Weight	820.754 g/mol
SMILES	c12[n]3[Cu][n]4c(cc5nc(c2)c(c5C)CCCCCCC)c(c(c4cc2nc(cc3c(CCCCCCC)c1C)c(c2CCCCCCC)C)C)CCCCCCC
SPLASH	splash10-014i-0000111290-a0981d2111fe0a669596
Source of Spectrum	J-44-2080-0
Wiley ID	1417423