3-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenol

Systemtic Name: 3-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenol Openeye Name: 3-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenol CAS Name: 3-[10,15,20-tris(1-methyl-4-pyridin-1-iumyl)-21,22-dihydroporphyrin-5-yl]phenol IUPAC Name: 3-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenol Traditional Name: 3-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphin-5-yl]phenol Formula: C44H36N7O+3 MolecularWeight: 678.80294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)C)C9=CC(=CC=C9)O)N3

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)C)C9=CC(=CC=C9)O)N3

InChI

InChI=1S/C44H34N7O/c1-49-21-15-28(16-22-49)41-33-7-9-35(45-33)42(29-17-23-50(2)24-18-29)37-11-13-39(47-37)44(31-5-4-6-32(52)27-31)40-14-12-38(48-40)43(36-10-8-34(41)46-36)30-19-25-51(3)26-20-30/h4-27H,1-3H3,(H-,45,46,47,48,52)/q+1/p+2