15-(4-ethynylphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin

Systemtic Name: 15-(4-ethynylphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin Openeye Name: 15-(4-ethynylphenyl)-5-phenyl-10,20-bis(p-tolyl)-21,22-dihydroporphyrin CAS Name: 15-(4-ethynylphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin IUPAC Name: 15-(4-ethynylphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin Traditional Name: 15-(4-ethynylphenyl)-5-phenyl-10,20-bis(p-tolyl)-21,22-dihydroporphine Formula: C48H34N4 MolecularWeight: 666.81036

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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#C)C8=CC=C(C=C8)C)C9=CC=CC=C9)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#C)C8=CC=C(C=C8)C)C9=CC=CC=C9)N3

InChI

InChI=1S/C48H34N4/c1-4-32-14-20-36(21-15-32)48-43-28-26-41(51-43)46(34-16-10-30(2)11-17-34)39-24-22-37(49-39)45(33-8-6-5-7-9-33)38-23-25-40(50-38)47(42-27-29-44(48)52-42)35-18-12-31(3)13-19-35/h1,5-29,49-50H,2-3H3