10,15-bis(1-methylpyridin-1-ium-2-yl)-5,20-diphenyl-21,22-dihydroporphyrin

Systemtic Name: 10,15-bis(1-methylpyridin-1-ium-2-yl)-5,20-diphenyl-21,22-dihydroporphyrin Openeye Name: 10,15-bis(1-methylpyridin-1-ium-2-yl)-5,20-diphenyl-21,22-dihydroporphyrin CAS Name: 10,15-bis(1-methyl-2-pyridin-1-iumyl)-5,20-diphenyl-21,22-dihydroporphyrin IUPAC Name: 10,15-bis(1-methylpyridin-1-ium-2-yl)-5,20-diphenyl-21,22-dihydroporphyrin Traditional Name: 10,15-bis(1-methylpyridin-1-ium-2-yl)-5,20-diphenyl-21,22-dihydroporphine Formula: C44H34N6+2 MolecularWeight: 646.78096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=[N+]7C)C8=CC=CC=C8)N4)C9=CC=CC=C9

Isomeric SMILES

C[N+]1=CC=CC=C1C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=[N+]7C)C8=CC=CC=C8)N4)C9=CC=CC=C9

InChI

InChI=1S/C44H33N6/c1-49-27-11-9-17-39(49)43-35-23-21-33(46-35)41(29-13-5-3-6-14-29)31-19-20-32(45-31)42(30-15-7-4-8-16-30)34-22-24-36(47-34)44(38-26-25-37(43)48-38)40-18-10-12-28-50(40)2/h3-28H,1-2H3,(H,45,46,47,48)/q+1/p+1