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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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