zinc 4-[15-(4-aminophenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,23-diid-5-yl]aniline

Systemtic Name: zinc 4-[15-(4-aminophenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,23-diid-5-yl]aniline Openeye Name: zinc 4-[15-(4-aminophenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,23-diid-5-yl]aniline CAS Name: zinc 4-[15-(4-aminophenyl)-10,20-bis(2,4,6-trimethylphenyl)-5-porphyrin-22,23-diidyl]aniline IUPAC Name: zinc 4-[15-(4-aminophenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,23-diid-5-yl]aniline Traditional Name: zinc [4-[15-(4-aminophenyl)-10,20-dimesityl-porphine-22,23-diid-5-yl]phenyl]amine Formula: C50H42N6Zn MolecularWeight: 792.31768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=C(C=C7)N)C=C5)C8=C(C=C(C=C8C)C)C)C=C4)C9=CC=C(C=C9)N)[N-]3)C.[Zn+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=C(C=C7)N)C=C5)C8=C(C=C(C=C8C)C)C)C=C4)C9=CC=C(C=C9)N)[N-]3)C.[Zn+2]

InChI

InChI=1S/C50H42N6.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)39-17-21-43(55-39)50(46-31(5)25-28(2)26-32(46)6)44-22-18-40(56-44)48(38-16-20-42(49)54-38)34-9-13-36(52)14-10-34;/h7-26H,51-52H2,1-6H3;/q-2;+2