N-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)hexanamide

Systemtic Name: N-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)hexanamide Openeye Name: N-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)hexanamide CAS Name: N-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)hexanamide IUPAC Name: N-(5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-yl)hexanamide Traditional Name: N-(5,10,15,20-tetraphenyl-21,22-dihydroporphin-2-yl)hexanamide Formula: C50H41N5O MolecularWeight: 727.89344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=C2C(=C3C=CC(=N3)C(=C4C=CC(=N4)C(=C5C=CC(=C(C(=C1)N2)C6=CC=CC=C6)N5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

CCCCCC(=O)NC1=C2C(=C3C=CC(=N3)C(=C4C=CC(=N4)C(=C5C=CC(=C(C(=C1)N2)C6=CC=CC=C6)N5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C50H41N5O/c1-2-3-8-25-45(56)54-44-32-43-48(35-21-13-6-14-22-35)41-29-28-39(52-41)46(33-17-9-4-10-18-33)37-26-27-38(51-37)47(34-19-11-5-12-20-34)40-30-31-42(53-40)49(50(44)55-43)36-23-15-7-16-24-36/h4-7,9-24,26-32,52,55H,2-3,8,25H2,1H3,(H,54,56)