zinc 4,6-di(piperidin-1-yl)-N-[4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]-1,3,5-triazin-2-amine

Systemtic Name: zinc 4,6-di(piperidin-1-yl)-N-[4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]-1,3,5-triazin-2-amine Openeye Name: zinc 4,6-bis(1-piperidyl)-N-[4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]-1,3,5-triazin-2-amine CAS Name: zinc 4,6-bis(1-piperidinyl)-N-[4-(10,15,20-triphenyl-5-porphyrin-22,24-diidyl)phenyl]-1,3,5-triazin-2-amine IUPAC Name: zinc 4,6-di(piperidin-1-yl)-N-[4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]-1,3,5-triazin-2-amine Traditional Name: zinc (4,6-dipiperidino-s-triazin-2-yl)-[4-(10,15,20-triphenylporphine-22,24-diid-5-yl)phenyl]amine Formula: C57H48N10Zn MolecularWeight: 938.46702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC(=N2)NC3=CC=C(C=C3)C4=C5C=CC(=N5)C(=C6C=CC(=C(C7=NC(=C(C8=CC=C4[N-]8)C9=CC=CC=C9)C=C7)C1=CC=CC=C1)[N-]6)C1=CC=CC=C1)N1CCCCC1.[Zn+2]

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC(=N2)NC3=CC=C(C=C3)C4=C5C=CC(=N5)C(=C6C=CC(=C(C7=NC(=C(C8=CC=C4[N-]8)C9=CC=CC=C9)C=C7)C1=CC=CC=C1)[N-]6)C1=CC=CC=C1)N1CCCCC1.[Zn+2]

InChI

InChI=1S/C57H48N10.Zn/c1-6-16-38(17-7-1)51-43-26-28-45(59-43)52(39-18-8-2-9-19-39)47-30-32-49(61-47)54(50-33-31-48(62-50)53(40-20-10-3-11-21-40)46-29-27-44(51)60-46)41-22-24-42(25-23-41)58-55-63-56(66-34-12-4-13-35-66)65-57(64-55)67-36-14-5-15-37-67;/h1-3,6-11,16-33H,4-5,12-15,34-37H2,(H,58,63,64,65);/q-2;+2