2-[[4-(15-phenyl-23,24-dihydroporphyrin-5-yl)phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-(15-phenyl-23,24-dihydroporphyrin-5-yl)phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(15-phenyl-23,24-dihydroporphyrin-5-yl)phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(15-phenyl-23,24-dihydroporphyrin-5-yl)phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(15-phenyl-23,24-dihydroporphyrin-5-yl)phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[4-(15-phenyl-23,24-dihydroporphin-5-yl)benzyl]isoindoline-1,3-quinone Formula: C41H27N5O2 MolecularWeight: 621.68538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C7=CC=C(C=C7)CN8C(=O)C9=CC=CC=C9C8=O)C=C4)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C7=CC=C(C=C7)CN8C(=O)C9=CC=CC=C9C8=O)C=C4)N3

InChI

InChI=1S/C41H27N5O2/c47-40-32-8-4-5-9-33(32)41(48)46(40)24-25-10-12-27(13-11-25)39-36-20-16-30(44-36)22-28-14-18-34(42-28)38(26-6-2-1-3-7-26)35-19-15-29(43-35)23-31-17-21-37(39)45-31/h1-23,42-43H,24H2