zinc N-[4-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diid-5-yl]phenyl]pyridin-2-amine

Systemtic Name: zinc N-[4-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diid-5-yl]phenyl]pyridin-2-amine Openeye Name: zinc N-[4-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diid-5-yl]phenyl]pyridin-2-amine CAS Name: zinc N-[4-[10,15,20-tris(2,4,6-trimethylphenyl)-5-porphyrin-23,24-diidyl]phenyl]-2-pyridinamine IUPAC Name: zinc N-[4-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diid-5-yl]phenyl]pyridin-2-amine Traditional Name: zinc 2-pyridyl-[4-(10,15,20-trimesitylporphine-23,24-diid-5-yl)phenyl]amine Formula: C58H50N6Zn MolecularWeight: 896.4668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)NC8=CC=CC=N8)C9=C(C=C(C=C9C)C)C)C1=C(C=C(C=C1C)C)C)[N-]3)C.[Zn+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)NC8=CC=CC=N8)C9=C(C=C(C=C9C)C)C)C1=C(C=C(C=C1C)C)C)[N-]3)C.[Zn+2]

InChI

InChI=1S/C58H50N6.Zn/c1-32-26-35(4)52(36(5)27-32)56-45-19-17-43(61-45)55(41-13-15-42(16-14-41)60-51-12-10-11-25-59-51)44-18-20-46(62-44)57(53-37(6)28-33(2)29-38(53)7)48-22-24-50(64-48)58(49-23-21-47(56)63-49)54-39(8)30-34(3)31-40(54)9;/h10-31H,1-9H3,(H,59,60);/q-2;+2