zinc 5,15-bis(8-methoxynaphthalen-1-yl)-10,20-bis[2,3,4,5,6-pentakis(fluoranyl)phenyl]porphyrin-21,22-diide

Systemtic Name: zinc 5,15-bis(8-methoxynaphthalen-1-yl)-10,20-bis[2,3,4,5,6-pentakis(fluoranyl)phenyl]porphyrin-21,22-diide Openeye Name: zinc 5,15-bis(8-methoxy-1-naphthyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)porphyrin-21,22-diide CAS Name: zinc 5,15-bis(8-methoxy-1-naphthalenyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)porphyrin-21,22-diide IUPAC Name: zinc 5,15-bis(8-methoxynaphthalen-1-yl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)porphyrin-21,22-diide Traditional Name: zinc 5,15-bis(8-methoxy-1-naphthyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)porphine-21,22-diide Formula: C54H26F10N4O2Zn MolecularWeight: 1018.202872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=CC=C2)C3=C4C=CC(=C(C5=NC(=C(C6=NC(=C(C7=CC=C3[N-]7)C8=C(C(=C(C(=C8F)F)F)F)F)C=C6)C9=CC=CC1=C9C(=CC=C1)OC)C=C5)C1=C(C(=C(C(=C1F)F)F)F)F)[N-]4.[Zn+2]

Isomeric SMILES

COC1=CC=CC2=C1C(=CC=C2)C3=C4C=CC(=C(C5=NC(=C(C6=NC(=C(C7=CC=C3[N-]7)C8=C(C(=C(C(=C8F)F)F)F)F)C=C6)C9=CC=CC1=C9C(=CC=C1)OC)C=C5)C1=C(C(=C(C(=C1F)F)F)F)F)[N-]4.[Zn+2]

InChI

InChI=1S/C54H26F10N4O2.Zn/c1-69-35-13-5-9-23-7-3-11-25(37(23)35)39-27-15-19-31(65-27)41(43-45(55)49(59)53(63)50(60)46(43)56)33-21-17-29(67-33)40(26-12-4-8-24-10-6-14-36(70-2)38(24)26)30-18-22-34(68-30)42(32-20-16-28(39)66-32)44-47(57)51(61)54(64)52(62)48(44)58;/h3-22H,1-2H3;/q-2;+2