nickel(2+); N-(triphenylmethyl)-3-[4-(10,15,20-tripyridin-4-ylporphyrin-22,24-diid-5-yl)phenoxy]propan-1-amine

Systemtic Name: nickel(2+); N-(triphenylmethyl)-3-[4-(10,15,20-tripyridin-4-ylporphyrin-22,24-diid-5-yl)phenoxy]propan-1-amine Openeye Name: nickelous 3-[4-[10,15,20-tris(4-pyridyl)porphyrin-22,24-diid-5-yl]phenoxy]-N-trityl-propan-1-amine CAS Name: nickel(2+); N-(triphenylmethyl)-3-[4-(10,15,20-tripyridin-4-yl-5-porphyrin-22,24-diidyl)phenoxy]-1-propanamine IUPAC Name: nickel(2+); 3-[4-(10,15,20-tripyridin-4-ylporphyrin-22,24-diid-5-yl)phenoxy]-N-tritylpropan-1-amine Traditional Name: nickelous 3-[4-[10,15,20-tris(4-pyridyl)porphine-22,24-diid-5-yl]phenoxy]propyl-trityl-amine Formula: C63H46N8NiO MolecularWeight: 989.78574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NCCCOC4=CC=C(C=C4)C5=C6C=CC(=C(C7=NC(=C(C8=CC=C([N-]8)C(=C9C=CC5=N9)C1=CC=NC=C1)C1=CC=NC=C1)C=C7)C1=CC=NC=C1)[N-]6.[Ni+2]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NCCCOC4=CC=C(C=C4)C5=C6C=CC(=C(C7=NC(=C(C8=CC=C([N-]8)C(=C9C=CC5=N9)C1=CC=NC=C1)C1=CC=NC=C1)C=C7)C1=CC=NC=C1)[N-]6.[Ni+2]

InChI

InChI=1S/C63H46N8O.Ni/c1-4-11-47(12-5-1)63(48-13-6-2-7-14-48,49-15-8-3-9-16-49)67-35-10-42-72-50-19-17-43(18-20-50)59-51-21-23-53(68-51)60(44-29-36-64-37-30-44)55-25-27-57(70-55)62(46-33-40-66-41-34-46)58-28-26-56(71-58)61(45-31-38-65-39-32-45)54-24-22-52(59)69-54;/h1-9,11-34,36-41,67H,10,35,42H2;/q-2;+2