zinc 5-(4-bromophenyl)-15-(4-iodophenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-21,22-diide

Systemtic Name: zinc 5-(4-bromophenyl)-15-(4-iodophenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-21,22-diide Openeye Name: zinc 5-(4-bromophenyl)-15-(4-iodophenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-21,22-diide CAS Name: zinc 5-(4-bromophenyl)-15-(4-iodophenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-21,22-diide IUPAC Name: zinc 5-(4-bromophenyl)-15-(4-iodophenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-21,22-diide Traditional Name: zinc 5-(4-bromophenyl)-15-(4-iodophenyl)-10,20-dimesityl-porphine-21,22-diide Formula: C50H38BrIN4Zn MolecularWeight: 967.08099

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)I)C8=C(C=C(C=C8C)C)C)C9=CC=C(C=C9)Br)[N-]3)C.[Zn+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)I)C8=C(C=C(C=C8C)C)C)C9=CC=C(C=C9)Br)[N-]3)C.[Zn+2]

InChI

InChI=1S/C50H38BrIN4.Zn/c1-27-23-29(3)45(30(4)24-27)49-41-19-15-37(53-41)47(33-7-11-35(51)12-8-33)38-16-20-42(54-38)50(46-31(5)25-28(2)26-32(46)6)44-22-18-40(56-44)48(39-17-21-43(49)55-39)34-9-13-36(52)14-10-34;/h7-26H,1-6H3;/q-2;+2