5,10,15,20-tetrakis(4-propylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(4-propylphenyl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(4-propylphenyl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(4-propylphenyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(4-propylphenyl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(4-propylphenyl)-21,22-dihydroporphine Formula: C56H54N4 MolecularWeight: 783.05476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)CCC)C8=CC=C(C=C8)CCC)C9=CC=C(C=C9)CCC)N3

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)CCC)C8=CC=C(C=C8)CCC)C9=CC=C(C=C9)CCC)N3

InChI

InChI=1S/C56H54N4/c1-5-9-37-13-21-41(22-14-37)53-45-29-31-47(57-45)54(42-23-15-38(10-6-2)16-24-42)49-33-35-51(59-49)56(44-27-19-40(12-8-4)20-28-44)52-36-34-50(60-52)55(48-32-30-46(53)58-48)43-25-17-39(11-7-3)18-26-43/h13-36,57-58H,5-12H2,1-4H3