5-(4-bromophenyl)-10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin

Systemtic Name: 5-(4-bromophenyl)-10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin Openeye Name: 5-(4-bromophenyl)-10,15,20-tris(4-pyridyl)-21,22-dihydroporphyrin CAS Name: 5-(4-bromophenyl)-10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin IUPAC Name: 5-(4-bromophenyl)-10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin Traditional Name: 5-(4-bromophenyl)-10,15,20-tris(4-pyridyl)-21,22-dihydroporphine Formula: C41H26BrN7 MolecularWeight: 696.59604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=NC=C7)C=C5)C8=CC=NC=C8)C=C4)C9=CC=NC=C9)N3)Br

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=NC=C7)C=C5)C8=CC=NC=C8)C=C4)C9=CC=NC=C9)N3)Br

InChI

InChI=1S/C41H26BrN7/c42-29-3-1-25(2-4-29)38-30-5-7-32(46-30)39(26-13-19-43-20-14-26)34-9-11-36(48-34)41(28-17-23-45-24-18-28)37-12-10-35(49-37)40(27-15-21-44-22-16-27)33-8-6-31(38)47-33/h1-24,46-47H