{5-[4(e)-(2,3,5-(trimethyl)-1,4-benzoquinon-6-yl)cyclohex-(e)-yl]-10,15,20-tris(4-methylphenylene)porphyrinato}zinc(II)

SpectraBase Compound ID	8CL8yOV6yyX
InChI	InChI=1S/C56H48N4O2.Zn/c1-31-7-13-38(14-8-31)51-42-23-25-44(57-42)52(39-15-9-32(2)10-16-39)46-27-29-48(59-46)54(41-21-19-37(20-22-41)50-36(6)55(61)34(4)35(5)56(50)62)49-30-28-47(60-49)53(45-26-24-43(51)58-45)40-17-11-33(3)12-18-40;/h7-18,23-30,37,41H,19-22H2,1-6H3;/q-2;+2/b51-42-,51-43-,52-44-,52-46-,53-45-,53-47-,54-48-,54-49-;
InChIKey	IAQINCAJQSOZNW-QTYWBUEGSA-N Google Search
Mol Weight	874.4 g/mol
Molecular Formula	C56H48N4O2Zn
Exact Mass	872.306869 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	DddDmSuIEvk
Name	{5-[4(e)-(2,3,5-(trimethyl)-1,4-benzoquinon-6-yl)cyclohex-(e)-yl]-10,15,20-tris(4-methylphenylene)porphyrinato}zinc(II)
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C56H48N4O2Zn
InChI	InChI=1S/C56H48N4O2.Zn/c1-31-7-13-38(14-8-31)51-42-23-25-44(57-42)52(39-15-9-32(2)10-16-39)46-27-29-48(59-46)54(41-21-19-37(20-22-41)50-36(6)55(61)34(4)35(5)56(50)62)49-30-28-47(60-49)53(45-26-24-43(51)58-45)40-17-11-33(3)12-18-40;/h7-18,23-30,37,41H,19-22H2,1-6H3;/q-2;+2/b51-42-,51-43-,52-44-,52-46-,53-45-,53-47-,54-48-,54-49-;/t37-,41-;
InChIKey	IAQINCAJQSOZNW-QTYWBUEGSA-N
Molecular Weight	874.408 g/mol
SMILES	c12[n]3[Zn][n]4c(c(c5nc(c2-c2ccc(cc2)C)cc5)-c2ccc(cc2)C)ccc4c(c2nc(c(c3cc1)-c1ccc(cc1)C)cc2)[C@]1(CC[C@](C2=C(C(=O)C(=C(C2=O)C)C)C)(CC1)[H])[H]
SPLASH	splash10-00di-0000002090-1a932cd7701069ac985e
Source of Spectrum	J-62-8679-35
Synonyms	{5-[4(a)-(2,3,5-(trimethyl)-1,4-benzoquinon-6-yl)cyclohex-(e)-yl]-10,15,20-tris(4-methylphenylene)porphyrinato}zinc(II)
Wiley ID	1417849