5,10,20-tris(4-methylphenyl)-15-(2-phenethyloxyphenyl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,20-tris(4-methylphenyl)-15-(2-phenethyloxyphenyl)-21,22-dihydroporphyrin Openeye Name: 15-(2-phenethyloxyphenyl)-5,10,20-tris(p-tolyl)-21,22-dihydroporphyrin CAS Name: 5,10,20-tris(4-methylphenyl)-15-(2-phenethyloxyphenyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,20-tris(4-methylphenyl)-15-(2-phenethyloxyphenyl)-21,22-dihydroporphyrin Traditional Name: 15-(2-phenethyloxyphenyl)-5,10,20-tris(p-tolyl)-21,22-dihydroporphine Formula: C55H44N4O MolecularWeight: 776.96406

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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=CC=C7OCCC8=CC=CC=C8)C9=CC=C(C=C9)C)C1=CC=C(C=C1)C)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=CC=C7OCCC8=CC=CC=C8)C9=CC=C(C=C9)C)C1=CC=C(C=C1)C)N3

InChI

InChI=1S/C55H44N4O/c1-35-13-19-39(20-14-35)52-43-25-27-45(56-43)53(40-21-15-36(2)16-22-40)47-29-31-49(58-47)55(42-11-7-8-12-51(42)60-34-33-38-9-5-4-6-10-38)50-32-30-48(59-50)54(46-28-26-44(52)57-46)41-23-17-37(3)18-24-41/h4-32,56-57H,33-34H2,1-3H3