15-(2-phenylethynyl)-5,10,20-tris(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 15-(2-phenylethynyl)-5,10,20-tris(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin Openeye Name: 15-(2-phenylethynyl)-5,10,20-tris(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin CAS Name: 15-(2-phenylethynyl)-5,10,20-tris(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin IUPAC Name: 15-(2-phenylethynyl)-5,10,20-tris(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin Traditional Name: 5,10,20-trimesityl-15-(2-phenylethynyl)-21,22-dihydroporphine Formula: C55H48N4 MolecularWeight: 764.99642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C#CC7=CC=CC=C7)C8=C(C=C(C=C8C)C)C)C9=C(C=C(C=C9C)C)C)N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C#CC7=CC=CC=C7)C8=C(C=C(C=C8C)C)C)C9=C(C=C(C=C9C)C)C)N3)C

InChI

InChI=1S/C55H48N4/c1-31-25-34(4)50(35(5)26-31)53-44-19-17-42(56-44)41(16-15-40-13-11-10-12-14-40)43-18-20-45(57-43)54(51-36(6)27-32(2)28-37(51)7)47-22-24-49(59-47)55(48-23-21-46(53)58-48)52-38(8)29-33(3)30-39(52)9/h10-14,17-30,58-59H,1-9H3