zinc 3,3-dimethyl-10-(4-methylphenyl)-5-(2-phenylethynyl)-15-(2,4,6-trimethylphenyl)porphyrin-22-id-2-olate

Systemtic Name: zinc 3,3-dimethyl-10-(4-methylphenyl)-5-(2-phenylethynyl)-15-(2,4,6-trimethylphenyl)porphyrin-22-id-2-olate Openeye Name: zinc 3,3-dimethyl-5-(2-phenylethynyl)-10-(p-tolyl)-15-(2,4,6-trimethylphenyl)porphyrin-22-id-2-olate CAS Name: zinc 3,3-dimethyl-10-(4-methylphenyl)-5-(2-phenylethynyl)-15-(2,4,6-trimethylphenyl)-2-porphyrin-22-idolate IUPAC Name: zinc 3,3-dimethyl-10-(4-methylphenyl)-5-(2-phenylethynyl)-15-(2,4,6-trimethylphenyl)porphyrin-22-id-2-olate Traditional Name: zinc 15-mesityl-3,3-dimethyl-5-(2-phenylethynyl)-10-(p-tolyl)porphin-22-id-2-olate Formula: C46H36N4OZn MolecularWeight: 726.21324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C4(C)C)[O-])C=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=C(C=C7C)C)C)C#CC8=CC=CC=C8)[N-]3.[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C4(C)C)[O-])C=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=C(C=C7C)C)C)C#CC8=CC=CC=C8)[N-]3.[Zn+2]

InChI

InChI=1S/C46H37N4O.Zn/c1-27-12-15-32(16-13-27)42-36-21-20-35(48-36)34(18-14-31-10-8-7-9-11-31)44-46(5,6)45(51)40(50-44)26-33-17-19-38(47-33)43(39-23-22-37(42)49-39)41-29(3)24-28(2)25-30(41)4;/h7-13,15-17,19-26H,1-6H3,(H-,47,48,49,50,51);/q-1;+2/p-1