zinc 5,15-bis(4-methylphenyl)-10-(4-prop-2-enylphenyl)-20-(2,4,6-trimethylphenyl)porphyrin-21,24-diide

Systemtic Name: zinc 5,15-bis(4-methylphenyl)-10-(4-prop-2-enylphenyl)-20-(2,4,6-trimethylphenyl)porphyrin-21,24-diide Openeye Name: zinc 5-(4-allylphenyl)-10,20-bis(p-tolyl)-15-(2,4,6-trimethylphenyl)porphyrin-23,24-diide CAS Name: zinc 5,15-bis(4-methylphenyl)-10-(4-prop-2-enylphenyl)-20-(2,4,6-trimethylphenyl)porphyrin-21,24-diide IUPAC Name: zinc 5,15-bis(4-methylphenyl)-10-(4-prop-2-enylphenyl)-20-(2,4,6-trimethylphenyl)porphyrin-21,24-diide Traditional Name: zinc 5-(4-allylphenyl)-15-mesityl-10,20-bis(p-tolyl)porphine-23,24-diide Formula: C52H42N4Zn MolecularWeight: 788.32568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)CC=C)C8=CC=C(C=C8)C)C9=C(C=C(C=C9C)C)C)[N-]3.[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)CC=C)C8=CC=C(C=C8)C)C9=C(C=C(C=C9C)C)C)[N-]3.[Zn+2]

InChI

InChI=1S/C52H42N4.Zn/c1-7-8-36-13-19-39(20-14-36)51-42-23-21-40(53-42)49(37-15-9-31(2)10-16-37)44-25-27-46(55-44)52(48-34(5)29-33(4)30-35(48)6)47-28-26-45(56-47)50(41-22-24-43(51)54-41)38-17-11-32(3)12-18-38;/h7,9-30H,1,8H2,2-6H3;/q-2;+2