5,10,15,20-tetrakis(4-bromophenyl)-23-methyl-21H-porphyrin

Systemtic Name: 5,10,15,20-tetrakis(4-bromophenyl)-23-methyl-21H-porphyrin Openeye Name: 5,10,15,20-tetrakis(4-bromophenyl)-23-methyl-21H-porphyrin CAS Name: 5,10,15,20-tetrakis(4-bromophenyl)-23-methyl-21H-porphyrin IUPAC Name: 5,10,15,20-tetrakis(4-bromophenyl)-23-methyl-21H-porphyrin Traditional Name: 5,10,15,20-tetrakis(4-bromophenyl)-23-methyl-21H-porphine Formula: C45H28Br4N4 MolecularWeight: 944.34662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=C1C(=C3C=CC(=N3)C(=C4C=CC(=C(C5=NC(=C2C6=CC=C(C=C6)Br)C=C5)C7=CC=C(C=C7)Br)N4)C8=CC=C(C=C8)Br)C9=CC=C(C=C9)Br

Isomeric SMILES

CN1C2=CC=C1C(=C3C=CC(=N3)C(=C4C=CC(=C(C5=NC(=C2C6=CC=C(C=C6)Br)C=C5)C7=CC=C(C=C7)Br)N4)C8=CC=C(C=C8)Br)C9=CC=C(C=C9)Br

InChI

InChI=1S/C45H28Br4N4/c1-53-40-24-25-41(53)45(29-8-16-33(49)17-9-29)39-23-21-37(52-39)43(27-4-12-31(47)13-5-27)35-19-18-34(50-35)42(26-2-10-30(46)11-3-26)36-20-22-38(51-36)44(40)28-6-14-32(48)15-7-28/h2-25,50H,1H3