| SpectraBase Spectrum ID |
5nhpUD9v43i |
| 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 |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
872.306868800 u |
| 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-; |
| InChIKey |
IAQINCAJQSOZNW-QTYWBUEGSA-N |
| Molecular Weight |
874.408 g/mol |
| SMILES |
C=12N3[Zn]N4C(=C(C5=NC(=C2C=2C=CC(=CC2)C)C=C5)C2=CC=C(C=C2)C)C=CC4=C(C2=NC(=C(C3=CC1)C1=CC=C(C=C1)C)C=C2)[C@]1(CC[C@](C2=C(C(=O)C(=C(C2=O)C)C)C)(CC1)[H])[H] |
![{5-[4(e)-(2,3,5-(trimethyl)-1,4-benzoquinon-6-yl)cyclohex-(e)-yl]-10,15,20-tris(4-methylphenylene)porphyrinato}zinc(II)](/api/spectrum/5nhpUD9v43i/structure.png?h=300&w=458 "{5-[4(e)-(2,3,5-(trimethyl)-1,4-benzoquinon-6-yl)cyclohex-(e)-yl]-10,15,20-tris(4-methylphenylene)porphyrinato}zinc(II)")
