5,10,20-tris(4-methoxyphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin

Systemtic Name: 5,10,20-tris(4-methoxyphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin Openeye Name: 5,10,20-tris(4-methoxyphenyl)-15-(4-pyridyl)-21,22-dihydroporphyrin CAS Name: 5,10,20-tris(4-methoxyphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin IUPAC Name: 5,10,20-tris(4-methoxyphenyl)-15-pyridin-4-yl-21,22-dihydroporphyrin Traditional Name: 5,10,20-tris(4-methoxyphenyl)-15-(4-pyridyl)-21,22-dihydroporphine Formula: C46H35N5O3 MolecularWeight: 705.8018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=NC=C7)C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)N3

Isomeric SMILES

COC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=NC=C7)C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)N3

InChI

InChI=1S/C46H35N5O3/c1-52-32-10-4-28(5-11-32)43-35-16-18-37(48-35)44(29-6-12-33(53-2)13-7-29)39-20-22-41(50-39)46(31-24-26-47-27-25-31)42-23-21-40(51-42)45(38-19-17-36(43)49-38)30-8-14-34(54-3)15-9-30/h4-27,48-49H,1-3H3