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

Systemtic Name: [4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl] 2-methylprop-2-enoate Openeye Name: [4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl] 2-methylprop-2-enoate CAS Name: 2-methyl-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] 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid [4-(10,15,20-triphenyl-23,24-dihydroporphin-5-yl)phenyl] ester Formula: C48H34N4O2 MolecularWeight: 698.80916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=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

CC(=C)C(=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/C48H34N4O2/c1-30(2)48(53)54-35-20-18-34(19-21-35)47-42-28-26-40(51-42)45(32-14-8-4-9-15-32)38-24-22-36(49-38)44(31-12-6-3-7-13-31)37-23-25-39(50-37)46(33-16-10-5-11-17-33)41-27-29-43(47)52-41/h3-29,49-50H,1H2,2H3