5,10,15,20-tetrakis(2,4,6-triethylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(2,4,6-triethylphenyl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(2,4,6-triethylphenyl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(2,4,6-triethylphenyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(2,4,6-triethylphenyl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(2,4,6-triethylphenyl)-21,22-dihydroporphine Formula: C68H78N4 MolecularWeight: 951.37372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)CC)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=C(C=C7CC)CC)CC)C8=C(C=C(C=C8CC)CC)CC)C9=C(C=C(C=C9CC)CC)CC)N3)CC

Isomeric SMILES

CCC1=CC(=C(C(=C1)CC)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=C(C=C7CC)CC)CC)C8=C(C=C(C=C8CC)CC)CC)C9=C(C=C(C=C9CC)CC)CC)N3)CC

InChI

InChI=1S/C68H78N4/c1-13-41-33-45(17-5)61(46(18-6)34-41)65-53-25-27-55(69-53)66(62-47(19-7)35-42(14-2)36-48(62)20-8)57-29-31-59(71-57)68(64-51(23-11)39-44(16-4)40-52(64)24-12)60-32-30-58(72-60)67(56-28-26-54(65)70-56)63-49(21-9)37-43(15-3)38-50(63)22-10/h25-40,69-70H,13-24H2,1-12H3