2-[2,3,4-tris(1-methyl-2H-pyridin-3-yl)phenyl]-21,22-dihydroporphyrin

Systemtic Name: 2-[2,3,4-tris(1-methyl-2H-pyridin-3-yl)phenyl]-21,22-dihydroporphyrin Openeye Name: 2-[2,3,4-tris(1-methyl-2H-pyridin-3-yl)phenyl]-21,22-dihydroporphyrin CAS Name: 2-[2,3,4-tris(1-methyl-2H-pyridin-3-yl)phenyl]-21,22-dihydroporphyrin IUPAC Name: 2-[2,3,4-tris(1-methyl-2H-pyridin-3-yl)phenyl]-21,22-dihydroporphyrin Traditional Name: 2-[2,3,4-tris(1-methyl-2H-pyridin-3-yl)phenyl]-21,22-dihydroporphine Formula: C44H39N7 MolecularWeight: 665.82736

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=CC=C1)C2=C(C(=C(C=C2)C3=C4C=C5C=CC(=N5)C=C6C=CC(=N6)C=C7C=CC(=CC(=C3)N4)N7)C8=CC=CN(C8)C)C9=CC=CN(C9)C

Isomeric SMILES

CN1CC(=CC=C1)C2=C(C(=C(C=C2)C3=C4C=C5C=CC(=N5)C=C6C=CC(=N6)C=C7C=CC(=CC(=C3)N4)N7)C8=CC=CN(C8)C)C9=CC=CN(C9)C

InChI

InChI=1S/C44H39N7/c1-49-18-4-7-29(26-49)39-16-17-40(44(31-9-6-20-51(3)28-31)43(39)30-8-5-19-50(2)27-30)41-24-38-23-36-13-12-34(46-36)21-32-10-11-33(45-32)22-35-14-15-37(47-35)25-42(41)48-38/h4-25,46,48H,26-28H2,1-3H3