5,10,20-tris(4-tert-butylphenyl)-15-(4-ethynylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,20-tris(4-tert-butylphenyl)-15-(4-ethynylphenyl)-21,22-dihydroporphyrin Openeye Name: 5,10,20-tris(4-tert-butylphenyl)-15-(4-ethynylphenyl)-21,22-dihydroporphyrin CAS Name: 5,10,20-tris(4-tert-butylphenyl)-15-(4-ethynylphenyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,20-tris(4-tert-butylphenyl)-15-(4-ethynylphenyl)-21,22-dihydroporphyrin Traditional Name: 5,10,20-tris(4-tert-butylphenyl)-15-(4-ethynylphenyl)-21,22-dihydroporphine Formula: C58H54N4 MolecularWeight: 807.07616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C58H54N4/c1-11-36-12-14-37(15-13-36)52-44-28-30-46(59-44)53(38-16-22-41(23-17-38)56(2,3)4)48-32-34-50(61-48)55(40-20-26-43(27-21-40)58(8,9)10)51-35-33-49(62-51)54(47-31-29-45(52)60-47)39-18-24-42(25-19-39)57(5,6)7/h1,12-35,61-62H,2-10H3