2,17,18,20-tetrakis(1-methyl-2H-pyridin-3-yl)-21,22-dihydroporphyrin

Systemtic Name: 2,17,18,20-tetrakis(1-methyl-2H-pyridin-3-yl)-21,22-dihydroporphyrin Openeye Name: 2,17,18,20-tetrakis(1-methyl-2H-pyridin-3-yl)-21,22-dihydroporphyrin CAS Name: 2,17,18,20-tetrakis(1-methyl-2H-pyridin-3-yl)-21,22-dihydroporphyrin IUPAC Name: 2,17,18,20-tetrakis(1-methyl-2H-pyridin-3-yl)-21,22-dihydroporphyrin Traditional Name: 2,17,18,20-tetrakis(1-methyl-2H-pyridin-3-yl)-21,22-dihydroporphine Formula: C44H42N8 MolecularWeight: 682.85788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=CC=C1)C2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)C7=CC=CN(C7)C)C8=CC=CN(C8)C)C9=CC=CN(C9)C

Isomeric SMILES

CN1CC(=CC=C1)C2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)C7=CC=CN(C7)C)C8=CC=CN(C8)C)C9=CC=CN(C9)C

InChI

InChI=1S/C44H42N8/c1-49-17-5-9-29(25-49)38-23-37-22-35-14-13-33(45-35)21-34-15-16-36(46-34)24-39-40(30-10-6-18-50(2)26-30)41(31-11-7-19-51(3)27-31)44(48-39)42(43(38)47-37)32-12-8-20-52(4)28-32/h5-24,45,47H,25-28H2,1-4H3