5,10,15-tris(1-ethylpyridin-1-ium-2-yl)-20-(1-ethylpyridin-2-ylidene)-21H-porphyrin

Systemtic Name: 5,10,15-tris(1-ethylpyridin-1-ium-2-yl)-20-(1-ethylpyridin-2-ylidene)-21H-porphyrin Openeye Name: 5,10,15-tris(1-ethylpyridin-1-ium-2-yl)-20-(1-ethyl-2-pyridylidene)-21H-porphyrin CAS Name: 5,10,15-tris(1-ethyl-2-pyridin-1-iumyl)-20-(1-ethyl-2-pyridinylidene)-21H-porphyrin IUPAC Name: 5,10,15-tris(1-ethylpyridin-1-ium-2-yl)-20-(1-ethylpyridin-2-ylidene)-21H-porphyrin Traditional Name: 5,10,15-tris(1-ethylpyridin-1-ium-2-yl)-20-(1-ethyl-2-pyridylidene)-21H-porphine Formula: C48H45N8+3 MolecularWeight: 733.9245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC=CC1=C2C3=NC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=[N+]7CC)C=C5)C8=CC=CC=[N+]8CC)C=C4)C9=CC=CC=[N+]9CC)C=C3

Isomeric SMILES

CCN1C=CC=CC1=C2C3=NC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=[N+]7CC)C=C5)C8=CC=CC=[N+]8CC)C=C4)C9=CC=CC=[N+]9CC)C=C3

InChI

InChI=1S/C48H45N8/c1-5-53-29-13-9-17-41(53)45-33-21-23-35(49-33)46(42-18-10-14-30-54(42)6-2)37-25-27-39(51-37)48(44-20-12-16-32-56(44)8-4)40-28-26-38(52-40)47(36-24-22-34(45)50-36)43-19-11-15-31-55(43)7-3/h9-32,49H,5-8H2,1-4H3/q+3