neodymium(3+); pentane-2,4-dione; 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin

Systemtic Name: neodymium(3+); pentane-2,4-dione; 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin Openeye Name: neodymium(3+); pentane-2,4-dione; 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin CAS Name: neodymium(3+); pentane-2,4-dione; 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin IUPAC Name: neodymium(3+); pentane-2,4-dione; 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin Traditional Name: neodymium(3+); pentane-2,4-dione; 5,10,15,20-tetraphenyl-21,22-dihydroporphine Formula: C49H38N4NdO2+3 MolecularWeight: 859.09162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)C.C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)N3.[Nd+3]

Isomeric SMILES

CC(=O)CC(=O)C.C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)N3.[Nd+3]

InChI

InChI=1S/C44H30N4.C5H8O2.Nd/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;1-4(6)3-5(2)7;/h1-28,45-46H;3H2,1-2H3;/q;;+3