1-[4-[15-(4-ethanoylphenyl)-10,20-diphenyl-21,22-dihydroporphyrin-5-yl]phenyl]ethanone

Systemtic Name: 1-[4-[15-(4-ethanoylphenyl)-10,20-diphenyl-21,22-dihydroporphyrin-5-yl]phenyl]ethanone Openeye Name: 1-[4-[15-(4-acetylphenyl)-10,20-diphenyl-21,22-dihydroporphyrin-5-yl]phenyl]ethanone CAS Name: 1-[4-[15-(4-acetylphenyl)-10,20-diphenyl-21,22-dihydroporphyrin-5-yl]phenyl]ethanone IUPAC Name: 1-[4-[15-(4-acetylphenyl)-10,20-diphenyl-21,22-dihydroporphyrin-5-yl]phenyl]ethanone Traditional Name: 1-[4-[15-(4-acetylphenyl)-10,20-diphenyl-21,22-dihydroporphin-5-yl]phenyl]ethanone Formula: C48H34N4O2 MolecularWeight: 698.80916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)C8=CC=C(C=C8)C(=O)C)C=C4)C9=CC=CC=C9)N3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)C8=CC=C(C=C8)C(=O)C)C=C4)C9=CC=CC=C9)N3

InChI

InChI=1S/C48H34N4O2/c1-29(53)31-13-17-35(18-14-31)47-41-25-21-37(49-41)45(33-9-5-3-6-10-33)39-23-27-43(51-39)48(36-19-15-32(16-20-36)30(2)54)44-28-24-40(52-44)46(34-11-7-4-8-12-34)38-22-26-42(47)50-38/h3-28,49-50H,1-2H3