10,15,20-tri(nonyl)-5-pyridin-4-yl-21,22-dihydroporphyrin

Systemtic Name: 10,15,20-tri(nonyl)-5-pyridin-4-yl-21,22-dihydroporphyrin Openeye Name: 10,15,20-tri(nonyl)-5-(4-pyridyl)-21,22-dihydroporphyrin CAS Name: 10,15,20-tri(nonyl)-5-pyridin-4-yl-21,22-dihydroporphyrin IUPAC Name: 10,15,20-tri(nonyl)-5-pyridin-4-yl-21,22-dihydroporphyrin Traditional Name: 10,15,20-tri(nonyl)-5-(4-pyridyl)-21,22-dihydroporphine Formula: C52H71N5 MolecularWeight: 766.15364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)CCCCCCCCC)CCCCCCCCC)C6=CC=NC=C6)N2

Isomeric SMILES

CCCCCCCCCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)CCCCCCCCC)CCCCCCCCC)C6=CC=NC=C6)N2

InChI

InChI=1S/C52H71N5/c1-4-7-10-13-16-19-22-25-41-44-28-30-46(54-44)42(26-23-20-17-14-11-8-5-2)48-32-34-50(56-48)52(40-36-38-53-39-37-40)51-35-33-49(57-51)43(47-31-29-45(41)55-47)27-24-21-18-15-12-9-6-3/h28-39,56-57H,4-27H2,1-3H3