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

Systemtic Name: 3-[4-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)phenoxy]propan-1-amine Openeye Name: 3-[4-[10,15,20-tris(4-pyridyl)-21,22-dihydroporphyrin-5-yl]phenoxy]propan-1-amine CAS Name: 3-[4-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)phenoxy]-1-propanamine IUPAC Name: 3-[4-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)phenoxy]propan-1-amine Traditional Name: 3-[4-[10,15,20-tris(4-pyridyl)-21,22-dihydroporphin-5-yl]phenoxy]propylamine Formula: C44H34N8O MolecularWeight: 690.79376

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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)OCCCN

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)OCCCN

InChI

InChI=1S/C44H34N8O/c45-20-1-27-53-32-4-2-28(3-5-32)41-33-6-8-35(49-33)42(29-14-21-46-22-15-29)37-10-12-39(51-37)44(31-18-25-48-26-19-31)40-13-11-38(52-40)43(30-16-23-47-24-17-30)36-9-7-34(41)50-36/h2-19,21-26,49-50H,1,20,27,45H2