12,13-bis(bromanyl)-3,3-dimethyl-20-phenyl-22,24-dihydro-2H-porphyrin

Systemtic Name: 12,13-bis(bromanyl)-3,3-dimethyl-20-phenyl-22,24-dihydro-2H-porphyrin Openeye Name: 12,13-dibromo-3,3-dimethyl-20-phenyl-22,24-dihydro-2H-porphyrin CAS Name: 12,13-dibromo-3,3-dimethyl-20-phenyl-22,24-dihydro-2H-porphyrin IUPAC Name: 12,13-dibromo-3,3-dimethyl-20-phenyl-22,24-dihydro-2H-porphyrin Traditional Name: 12,13-dibromo-3,3-dimethyl-20-phenyl-22,24-dihydro-2H-porphine Formula: C28H22Br2N4 MolecularWeight: 574.30908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C3=CC=C(N3)C=C4C(=C(C(=N4)C=C5C=CC(=CC1=N2)N5)Br)Br)C6=CC=CC=C6)C

Isomeric SMILES

CC1(CC2=C(C3=CC=C(N3)C=C4C(=C(C(=N4)C=C5C=CC(=CC1=N2)N5)Br)Br)C6=CC=CC=C6)C

InChI

InChI=1S/C28H22Br2N4/c1-28(2)15-23-25(16-6-4-3-5-7-16)20-11-10-18(32-20)13-22-27(30)26(29)21(33-22)12-17-8-9-19(31-17)14-24(28)34-23/h3-14,31-32H,15H2,1-2H3