10,15,20-tris(4-methylphenyl)-5-[4-(2-phenylethynyl)phenyl]-21,22-dihydroporphyrin

Systemtic Name: 10,15,20-tris(4-methylphenyl)-5-[4-(2-phenylethynyl)phenyl]-21,22-dihydroporphyrin Openeye Name: 5-[4-(2-phenylethynyl)phenyl]-10,15,20-tris(p-tolyl)-21,22-dihydroporphyrin CAS Name: 10,15,20-tris(4-methylphenyl)-5-[4-(2-phenylethynyl)phenyl]-21,22-dihydroporphyrin IUPAC Name: 10,15,20-tris(4-methylphenyl)-5-[4-(2-phenylethynyl)phenyl]-21,22-dihydroporphyrin Traditional Name: 5-[4-(2-phenylethynyl)phenyl]-10,15,20-tris(p-tolyl)-21,22-dihydroporphine Formula: C55H40N4 MolecularWeight: 756.9329

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C#CC1=CC=CC=C1)N3

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C#CC1=CC=CC=C1)N3

InChI

InChI=1S/C55H40N4/c1-35-9-19-40(20-10-35)52-44-27-29-46(56-44)53(41-21-11-36(2)12-22-41)48-31-33-50(58-48)55(43-25-17-39(18-26-43)16-15-38-7-5-4-6-8-38)51-34-32-49(59-51)54(47-30-28-45(52)57-47)42-23-13-37(3)14-24-42/h4-14,17-34,58-59H,1-3H3