[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl] prop-2-enoate

Systemtic Name: [4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl] prop-2-enoate Openeye Name: [4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl] prop-2-enoate CAS Name: 2-propenoic acid [4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl] ester IUPAC Name: [4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl] prop-2-enoate Traditional Name: acrylic acid [4-(10,15,20-triphenyl-23,24-dihydroporphin-5-yl)phenyl] ester Formula: C47H32N4O2 MolecularWeight: 684.78258

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)OC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)N4)C9=CC=CC=C9

Isomeric SMILES

C=CC(=O)OC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)N4)C9=CC=CC=C9

InChI

InChI=1S/C47H32N4O2/c1-2-43(52)53-34-20-18-33(19-21-34)47-41-28-26-39(50-41)45(31-14-8-4-9-15-31)37-24-22-35(48-37)44(30-12-6-3-7-13-30)36-23-25-38(49-36)46(32-16-10-5-11-17-32)40-27-29-42(47)51-40/h2-29,48-49H,1H2