12,13-bis(1-methyl-2H-pyridin-4-yl)-21,22-dihydroporphyrin

Systemtic Name: 12,13-bis(1-methyl-2H-pyridin-4-yl)-21,22-dihydroporphyrin Openeye Name: 12,13-bis(1-methyl-2H-pyridin-4-yl)-21,22-dihydroporphyrin CAS Name: 12,13-bis(1-methyl-2H-pyridin-4-yl)-21,22-dihydroporphyrin IUPAC Name: 12,13-bis(1-methyl-2H-pyridin-4-yl)-21,22-dihydroporphyrin Traditional Name: 12,13-bis(1-methyl-2H-pyridin-4-yl)-21,22-dihydroporphine Formula: C32H28N6 MolecularWeight: 496.60492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC=C(C=C1)C2=C(C3=NC2=CC4=CC=C(N4)C=C5C=CC(=CC6=NC(=C3)C=C6)N5)C7=CCN(C=C7)C

Isomeric SMILES

CN1CC=C(C=C1)C2=C(C3=NC2=CC4=CC=C(N4)C=C5C=CC(=CC6=NC(=C3)C=C6)N5)C7=CCN(C=C7)C

InChI

InChI=1S/C32H28N6/c1-37-13-9-21(10-14-37)31-29-19-27-7-5-25(34-27)17-23-3-4-24(33-23)18-26-6-8-28(35-26)20-30(36-29)32(31)22-11-15-38(2)16-12-22/h3-13,15,17-20,33-34H,14,16H2,1-2H3