zinc 5,15-bis(4-tert-butylphenyl)-10-phenyl-porphyrin-22,24-diide

Systemtic Name: zinc 5,15-bis(4-tert-butylphenyl)-10-phenyl-porphyrin-22,24-diide Openeye Name: zinc 5,15-bis(4-tert-butylphenyl)-10-phenyl-porphyrin-22,24-diide CAS Name: zinc 5,15-bis(4-tert-butylphenyl)-10-phenylporphyrin-22,24-diide IUPAC Name: zinc 5,15-bis(4-tert-butylphenyl)-10-phenylporphyrin-22,24-diide Traditional Name: zinc 5,15-bis(4-tert-butylphenyl)-10-phenyl-porphine-22,24-diide Formula: C46H40N4Zn MolecularWeight: 714.2456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=C(C=C8)C(C)(C)C)C=C4)[N-]3.[Zn+2]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=C(C=C8)C(C)(C)C)C=C4)[N-]3.[Zn+2]

InChI

InChI=1S/C46H40N4.Zn/c1-45(2,3)32-16-12-30(13-17-32)43-36-22-20-34(47-36)28-35-21-23-37(48-35)44(31-14-18-33(19-15-31)46(4,5)6)41-27-25-39(50-41)42(29-10-8-7-9-11-29)38-24-26-40(43)49-38;/h7-28H,1-6H3;/q-2;+2