zinc 4-[15-(4-azanyl-3,5-dimethyl-phenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,23-diid-5-yl]-2,6-dimethyl-aniline

Systemtic Name: zinc 4-[15-(4-azanyl-3,5-dimethyl-phenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,23-diid-5-yl]-2,6-dimethyl-aniline Openeye Name: zinc 4-[15-(4-amino-3,5-dimethyl-phenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,23-diid-5-yl]-2,6-dimethyl-aniline CAS Name: zinc 4-[15-(4-amino-3,5-dimethylphenyl)-10,20-bis(2,4,6-trimethylphenyl)-5-porphyrin-22,23-diidyl]-2,6-dimethylaniline IUPAC Name: zinc 4-[15-(4-amino-3,5-dimethylphenyl)-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,23-diid-5-yl]-2,6-dimethylaniline Traditional Name: zinc [4-[15-(4-amino-3,5-dimethyl-phenyl)-10,20-dimesityl-porphine-22,23-diid-5-yl]-2,6-dimethyl-phenyl]amine Formula: C54H50N6Zn MolecularWeight: 848.424

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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)C)N)C)C=C5)C8=C(C=C(C=C8C)C)C)C=C4)C9=CC(=C(C(=C9)C)N)C)[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)C)N)C)C=C5)C8=C(C=C(C=C8C)C)C)C=C4)C9=CC(=C(C(=C9)C)N)C)[N-]3)C.[Zn+2]

InChI

InChI=1S/C54H50N6.Zn/c1-27-19-29(3)47(30(4)20-27)51-43-15-11-39(57-43)49(37-23-33(7)53(55)34(8)24-37)41-13-17-45(59-41)52(48-31(5)21-28(2)22-32(48)6)46-18-14-42(60-46)50(40-12-16-44(51)58-40)38-25-35(9)54(56)36(10)26-38;/h11-26H,55-56H2,1-10H3;/q-2;+2