15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,10,20-tris(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,10,20-tris(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin Openeye Name: 15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,10,20-tris(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin CAS Name: 15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,10,20-tris(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin IUPAC Name: 15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,10,20-tris(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin Traditional Name: 5,10,20-trimesityl-15-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21,22-dihydroporphine Formula: C53H55BN4O2 MolecularWeight: 790.8404

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Descriptors Computed from Structure

Canonical SMILES:

B1(OC(C(O1)(C)C)(C)C)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=C(C=C(C=C7C)C)C)C8=C(C=C(C=C8C)C)C)N4)C9=C(C=C(C=C9C)C)C

Isomeric SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=C(C=C(C=C7C)C)C)C8=C(C=C(C=C8C)C)C)N4)C9=C(C=C(C=C9C)C)C

InChI

InChI=1S/C53H55BN4O2/c1-28-22-31(4)45(32(5)23-28)48-37-14-16-39(55-37)49(46-33(6)24-29(2)25-34(46)7)41-18-20-43(57-41)51(54-59-52(10,11)53(12,13)60-54)44-21-19-42(58-44)50(40-17-15-38(48)56-40)47-35(8)26-30(3)27-36(47)9/h14-27,55-56H,1-13H3