zinc 5,15-bis(3,5-dioctoxyphenyl)-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)porphyrin-22,23-diide

Systemtic Name: zinc 5,15-bis(3,5-dioctoxyphenyl)-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)porphyrin-22,23-diide Openeye Name: zinc 5,15-bis(3,5-dioctoxyphenyl)-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)porphyrin-22,23-diide CAS Name: zinc 5,15-bis(3,5-dioctoxyphenyl)-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)porphyrin-22,23-diide IUPAC Name: zinc 5,15-bis(3,5-dioctoxyphenyl)-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)porphyrin-22,23-diide Traditional Name: zinc 5,15-bis(3,5-dioctoxyphenyl)-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)porphine-22,23-diide Formula: C70H95BN4O6Zn MolecularWeight: 1164.7465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B1(OC(C(O1)(C)C)(C)C)C2=C3C=CC(=C(C4=NC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC(=CC(=C7)OCCCCCCCC)OCCCCCCCC)C=C5)C=C4)C8=CC(=CC(=C8)OCCCCCCCC)OCCCCCCCC)[N-]3.[Zn+2]

Isomeric SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C3C=CC(=C(C4=NC(=CC5=NC(=C(C6=CC=C2[N-]6)C7=CC(=CC(=C7)OCCCCCCCC)OCCCCCCCC)C=C5)C=C4)C8=CC(=CC(=C8)OCCCCCCCC)OCCCCCCCC)[N-]3.[Zn+2]

InChI

InChI=1S/C70H95BN4O6.Zn/c1-9-13-17-21-25-29-41-76-56-45-52(46-57(50-56)77-42-30-26-22-18-14-10-2)66-60-35-33-54(72-60)49-55-34-36-61(73-55)67(63-38-40-65(75-63)68(64-39-37-62(66)74-64)71-80-69(5,6)70(7,8)81-71)53-47-58(78-43-31-27-23-19-15-11-3)51-59(48-53)79-44-32-28-24-20-16-12-4;/h33-40,45-51H,9-32,41-44H2,1-8H3;/q-2;+2