3-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenanthrene-9,10-dione

Systemtic Name: 3-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenanthrene-9,10-dione Openeye Name: 3-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenanthrene-9,10-dione CAS Name: 3-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenanthrene-9,10-dione IUPAC Name: 3-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenanthrene-9,10-dione Traditional Name: 3-(10,15,20-triphenyl-21,22-dihydroporphin-5-yl)phenanthrene-9,10-quinone Formula: C52H32N4O2 MolecularWeight: 744.83608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC1=C(C=C9)C(=O)C(=O)C2=CC=CC=C21)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC1=C(C=C9)C(=O)C(=O)C2=CC=CC=C21)N3

InChI

InChI=1S/C52H32N4O2/c57-51-36-19-11-10-18-35(36)38-30-34(20-21-37(38)52(51)58)50-45-28-26-43(55-45)48(32-14-6-2-7-15-32)41-24-22-39(53-41)47(31-12-4-1-5-13-31)40-23-25-42(54-40)49(33-16-8-3-9-17-33)44-27-29-46(50)56-44/h1-30,55-56H