zinc N-(phenylmethyl)-4-[15-[4-[(phenylmethyl)amino]phenyl]porphyrin-21,22-diid-5-yl]aniline

Systemtic Name: zinc N-(phenylmethyl)-4-[15-[4-[(phenylmethyl)amino]phenyl]porphyrin-21,22-diid-5-yl]aniline Openeye Name: zinc N-benzyl-4-[15-[4-(benzylamino)phenyl]porphyrin-21,22-diid-5-yl]aniline CAS Name: zinc N-(phenylmethyl)-4-[15-[4-[(phenylmethyl)amino]phenyl]-5-porphyrin-21,22-diidyl]aniline IUPAC Name: zinc N-benzyl-4-[15-[4-(benzylamino)phenyl]porphyrin-21,22-diid-5-yl]aniline Traditional Name: zinc benzyl-[4-[15-[4-(benzylamino)phenyl]porphine-21,22-diid-5-yl]phenyl]amine Formula: C46H34N6Zn MolecularWeight: 736.21136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=CC=C(C=C2)C3=C4C=CC(=CC5=NC(=C(C6=NC(=CC7=CC=C3[N-]7)C=C6)C8=CC=C(C=C8)NCC9=CC=CC=C9)C=C5)[N-]4.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=CC=C(C=C2)C3=C4C=CC(=CC5=NC(=C(C6=NC(=CC7=CC=C3[N-]7)C=C6)C8=CC=C(C=C8)NCC9=CC=CC=C9)C=C5)[N-]4.[Zn+2]

InChI

InChI=1S/C46H34N6.Zn/c1-3-7-31(8-4-1)29-47-35-15-11-33(12-16-35)45-41-23-19-37(49-41)27-39-21-25-43(51-39)46(44-26-22-40(52-44)28-38-20-24-42(45)50-38)34-13-17-36(18-14-34)48-30-32-9-5-2-6-10-32;/h1-28,47-48H,29-30H2;/q-2;+2