{5-[4(A)-(2-Methyl-1,4-naphthoquinon-3-yl)cyclohex-(E)-yl]-10,15,20-tris(4-methylphenylene)porphyrinato}zinc(ii)

SpectraBase Compound ID	BJRb0dkamad
InChI	InChI=1S/C58H46N4O2.Zn/c1-33-9-15-38(16-10-33)53-44-25-27-46(59-44)54(39-17-11-34(2)12-18-39)48-29-31-50(61-48)56(41-23-21-37(22-24-41)52-36(4)57(63)42-7-5-6-8-43(42)58(52)64)51-32-30-49(62-51)55(47-28-26-45(53)60-47)40-19-13-35(3)14-20-40;/h5-20,25-32,37,41H,21-24H2,1-4H3;/q-2;+2/b53-44-,53-45-,54-46-,54-48-,55-47-,55-49-,56-50-,56-51-;
InChIKey	VMRIETAJODHRRI-LQWROSRFSA-N Google Search
Mol Weight	896.4 g/mol
Molecular Formula	C58H46N4O2Zn
Exact Mass	894.291219 g/mol

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SpectraBase Spectrum ID	86MUVuGff72
Name	{5-[4(A)-(2-Methyl-1,4-naphthoquinon-3-yl)cyclohex-(E)-yl]-10,15,20-tris(4-methylphenylene)porphyrinato}zinc(ii)
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	894.291218735 u
Formula	C58H46N4O2Zn
InChI	InChI=1S/C58H46N4O2.Zn/c1-33-9-15-38(16-10-33)53-44-25-27-46(59-44)54(39-17-11-34(2)12-18-39)48-29-31-50(61-48)56(41-23-21-37(22-24-41)52-36(4)57(63)42-7-5-6-8-43(42)58(52)64)51-32-30-49(62-51)55(47-28-26-45(53)60-47)40-19-13-35(3)14-20-40;/h5-20,25-32,37,41H,21-24H2,1-4H3;/q-2;+2/b53-44-,53-45-,54-46-,54-48-,55-47-,55-49-,56-50-,56-51-;
InChIKey	VMRIETAJODHRRI-LQWROSRFSA-N
Molecular Weight	896.414 g/mol
SMILES	C1=2N3[Zn]N4C(=C(C5=NC(=C1C1=CC=C(C=C1)C)C=C5)C1=CC=C(C=C1)C)C=CC4=C(C1=NC(=C(C3=CC2)C=2C=CC(=CC2)C)C=C1)[C@]1(CC[C@](C2=C(C(=O)C3=C(C2=O)C=CC=C3)C)(CC1)[H])[H]