5,15-bis(4-methylphenyl)-10-(1-methylpyridin-1-ium-4-yl)-20-(1-methylpyridin-4-ylidene)-21H-porphyrin

Systemtic Name: 5,15-bis(4-methylphenyl)-10-(1-methylpyridin-1-ium-4-yl)-20-(1-methylpyridin-4-ylidene)-21H-porphyrin Openeye Name: 15-(1-methylpyridin-1-ium-4-yl)-5-(1-methyl-4-pyridylidene)-10,20-bis(p-tolyl)-21H-porphyrin CAS Name: 5,15-bis(4-methylphenyl)-10-(1-methyl-4-pyridin-1-iumyl)-20-(1-methyl-4-pyridinylidene)-21H-porphyrin IUPAC Name: 5,15-bis(4-methylphenyl)-10-(1-methylpyridin-1-ium-4-yl)-20-(1-methylpyridin-4-ylidene)-21H-porphyrin Traditional Name: 15-(1-methylpyridin-1-ium-4-yl)-5-(1-methyl-4-pyridylidene)-10,20-bis(p-tolyl)-21H-porphine Formula: C46H37N6+ MolecularWeight: 673.82618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CN(C=C4)C)C5=CC=C(N5)C(=C6C=CC(=N6)C(=C7C=CC2=N7)C8=CC=[N+](C=C8)C)C9=CC=C(C=C9)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CN(C=C4)C)C5=CC=C(N5)C(=C6C=CC(=N6)C(=C7C=CC2=N7)C8=CC=[N+](C=C8)C)C9=CC=C(C=C9)C

InChI

InChI=1S/C46H37N6/c1-29-5-9-31(10-6-29)43-35-13-17-39(47-35)45(33-21-25-51(3)26-22-33)41-19-15-37(49-41)44(32-11-7-30(2)8-12-32)38-16-20-42(50-38)46(40-18-14-36(43)48-40)34-23-27-52(4)28-24-34/h5-28,47H,1-4H3/q+1