zinc 5-[4-(2-bromoethyl)phenyl]-10,15,20-triphenyl-porphyrin-22,24-diide

Systemtic Name: zinc 5-[4-(2-bromoethyl)phenyl]-10,15,20-triphenyl-porphyrin-22,24-diide Openeye Name: zinc 5-[4-(2-bromoethyl)phenyl]-10,15,20-triphenyl-porphyrin-22,24-diide CAS Name: zinc 5-[4-(2-bromoethyl)phenyl]-10,15,20-triphenylporphyrin-22,24-diide IUPAC Name: zinc 5-[4-(2-bromoethyl)phenyl]-10,15,20-triphenylporphyrin-22,24-diide Traditional Name: zinc 5-[4-(2-bromoethyl)phenyl]-10,15,20-triphenyl-porphine-22,24-diide Formula: C46H31BrN4Zn MolecularWeight: 785.07814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H31BrN4.Zn/c47-29-28-30-16-18-34(19-17-30)46-41-26-24-39(50-41)44(32-12-6-2-7-13-32)37-22-20-35(48-37)43(31-10-4-1-5-11-31)36-21-23-38(49-36)45(33-14-8-3-9-15-33)40-25-27-42(46)51-40;/h1-27H,28-29H2;/q-2;+2