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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=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)CCCCCC)C8=CC=C(C=C8)CCCCCC)C9=CC=C(C=C9)CCCCCC)N3

Isomeric SMILES

CCCCCCC1=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)CCCCCC)C8=CC=C(C=C8)CCCCCC)C9=CC=C(C=C9)CCCCCC)N3

InChI

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