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

Systemtic Name: zinc N-phenyl-4-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diid-5-yl]aniline Openeye Name: zinc N-phenyl-4-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diid-5-yl]aniline CAS Name: zinc N-phenyl-4-[10,15,20-tris(2,4,6-trimethylphenyl)-5-porphyrin-23,24-diidyl]aniline IUPAC Name: zinc N-phenyl-4-[10,15,20-tris(2,4,6-trimethylphenyl)porphyrin-23,24-diid-5-yl]aniline Traditional Name: zinc phenyl-[4-(10,15,20-trimesitylporphine-23,24-diid-5-yl)phenyl]amine Formula: C59H51N5Zn MolecularWeight: 895.47874

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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=C8)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=C8)C9=C(C=C(C=C9C)C)C)C1=C(C=C(C=C1C)C)C)[N-]3)C.[Zn+2]

InChI

InChI=1S/C59H51N5.Zn/c1-33-27-36(4)53(37(5)28-33)57-47-21-19-45(61-47)56(42-15-17-44(18-16-42)60-43-13-11-10-12-14-43)46-20-22-48(62-46)58(54-38(6)29-34(2)30-39(54)7)50-24-26-52(64-50)59(51-25-23-49(57)63-51)55-40(8)31-35(3)32-41(55)9;/h10-32,60H,1-9H3;/q-2;+2