zinc 5,15-bis(4-methylphenyl)-10-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-20-[4-(4-prop-2-enylhepta-1,6-dien-4-yl)phenyl]porphyrin-22,24-diide

Systemtic Name: zinc 5,15-bis(4-methylphenyl)-10-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-20-[4-(4-prop-2-enylhepta-1,6-dien-4-yl)phenyl]porphyrin-22,24-diide Openeye Name: zinc 5-[4-(1,1-diallylbut-3-enyl)phenyl]-15-(2,3,4,5,6-pentafluorophenyl)-10,20-bis(p-tolyl)porphyrin-22,24-diide CAS Name: zinc 5,15-bis(4-methylphenyl)-10-(2,3,4,5,6-pentafluorophenyl)-20-[4-(4-prop-2-enylhepta-1,6-dien-4-yl)phenyl]porphyrin-22,24-diide IUPAC Name: zinc 5,15-bis(4-methylphenyl)-10-(2,3,4,5,6-pentafluorophenyl)-20-[4-(4-prop-2-enylhepta-1,6-dien-4-yl)phenyl]porphyrin-22,24-diide Traditional Name: zinc 5-[4-(1,1-diallylbut-3-enyl)phenyl]-15-(2,3,4,5,6-pentafluorophenyl)-10,20-bis(p-tolyl)porphine-22,24-diide Formula: C56H41F5N4Zn MolecularWeight: 930.352556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=C(C(=C(C(=C7F)F)F)F)F)C8=CC=C(C=C8)C)C=C4)C9=CC=C(C=C9)C(CC=C)(CC=C)CC=C)[N-]3.[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=C(C(=C(C(=C7F)F)F)F)F)C8=CC=C(C=C8)C)C=C4)C9=CC=C(C=C9)C(CC=C)(CC=C)CC=C)[N-]3.[Zn+2]

InChI

InChI=1S/C56H41F5N4.Zn/c1-6-29-56(30-7-2,31-8-3)37-19-17-36(18-20-37)48-40-23-21-38(62-40)46(34-13-9-32(4)10-14-34)42-25-27-44(64-42)49(50-51(57)53(59)55(61)54(60)52(50)58)45-28-26-43(65-45)47(39-22-24-41(48)63-39)35-15-11-33(5)12-16-35;/h6-28H,1-3,29-31H2,4-5H3;/q-2;+2