13-bromanyl-3,3-dimethyl-20-phenyl-22,23-dihydro-2H-porphyrin

Systemtic Name: 13-bromanyl-3,3-dimethyl-20-phenyl-22,23-dihydro-2H-porphyrin Openeye Name: 13-bromo-3,3-dimethyl-20-phenyl-22,23-dihydro-2H-porphyrin CAS Name: 13-bromo-3,3-dimethyl-20-phenyl-22,23-dihydro-2H-porphyrin IUPAC Name: 13-bromo-3,3-dimethyl-20-phenyl-22,23-dihydro-2H-porphyrin Traditional Name: 13-bromo-3,3-dimethyl-20-phenyl-22,23-dihydro-2H-porphine Formula: C28H23BrN4 MolecularWeight: 495.41302

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C3=NC(=CC4=C(C=C(N4)C=C5C=CC(=CC1=N2)N5)Br)C=C3)C6=CC=CC=C6)C

Isomeric SMILES

CC1(CC2=C(C3=NC(=CC4=C(C=C(N4)C=C5C=CC(=CC1=N2)N5)Br)C=C3)C6=CC=CC=C6)C

InChI

InChI=1S/C28H23BrN4/c1-28(2)16-25-27(17-6-4-3-5-7-17)23-11-10-19(31-23)14-24-22(29)13-21(32-24)12-18-8-9-20(30-18)15-26(28)33-25/h3-15,30,32H,16H2,1-2H3