(4-bromophenyl) 3-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)prop-2-enoate

Systemtic Name: (4-bromophenyl) 3-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)prop-2-enoate Openeye Name: (4-bromophenyl) 3-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)prop-2-enoate CAS Name: 3-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)-2-propenoic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 3-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)prop-2-enoate Traditional Name: 3-(10,15,20-triphenyl-23,24-dihydroporphin-5-yl)acrylic acid (4-bromophenyl) ester Formula: C47H31BrN4O2 MolecularWeight: 763.67864

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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)C=CC(=O)OC7=CC=C(C=C7)Br)C8=CC=CC=C8)C9=CC=CC=C9)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C=CC(=O)OC7=CC=C(C=C7)Br)C8=CC=CC=C8)C9=CC=CC=C9)N3

InChI

InChI=1S/C47H31BrN4O2/c48-33-16-18-34(19-17-33)54-44(53)29-20-35-36-21-23-38(49-36)45(30-10-4-1-5-11-30)40-25-27-42(51-40)47(32-14-8-3-9-15-32)43-28-26-41(52-43)46(31-12-6-2-7-13-31)39-24-22-37(35)50-39/h1-29,51-52H