3-[4-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)phenoxy]propan-1-ol

Systemtic Name: 3-[4-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)phenoxy]propan-1-ol Openeye Name: 3-[4-[10,15,20-tris(4-pyridyl)-21,22-dihydroporphyrin-5-yl]phenoxy]propan-1-ol CAS Name: 3-[4-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)phenoxy]-1-propanol IUPAC Name: 3-[4-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)phenoxy]propan-1-ol Traditional Name: 3-[4-[10,15,20-tris(4-pyridyl)-21,22-dihydroporphin-5-yl]phenoxy]propan-1-ol Formula: C44H33N7O2 MolecularWeight: 691.77852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=NC=C7)C=C5)C8=CC=NC=C8)C=C4)C9=CC=NC=C9)N3)OCCCO

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=NC=C7)C=C5)C8=CC=NC=C8)C=C4)C9=CC=NC=C9)N3)OCCCO

InChI

InChI=1S/C44H33N7O2/c52-26-1-27-53-32-4-2-28(3-5-32)41-33-6-8-35(48-33)42(29-14-20-45-21-15-29)37-10-12-39(50-37)44(31-18-24-47-25-19-31)40-13-11-38(51-40)43(30-16-22-46-23-17-30)36-9-7-34(41)49-36/h2-25,48-49,52H,1,26-27H2