5-(3-methoxyphenyl)-10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin

Systemtic Name: 5-(3-methoxyphenyl)-10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin Openeye Name: 5-(3-methoxyphenyl)-10,15,20-tris(4-pyridyl)-21,22-dihydroporphyrin CAS Name: 5-(3-methoxyphenyl)-10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin IUPAC Name: 5-(3-methoxyphenyl)-10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin Traditional Name: 5-(3-methoxyphenyl)-10,15,20-tris(4-pyridyl)-21,22-dihydroporphine Formula: C42H29N7O MolecularWeight: 647.72596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=NC=C7)C=C5)C8=CC=NC=C8)C=C4)C9=CC=NC=C9)N3

Isomeric SMILES

COC1=CC=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=NC=C7)C=C5)C8=CC=NC=C8)C=C4)C9=CC=NC=C9)N3

InChI

InChI=1S/C42H29N7O/c1-50-30-4-2-3-29(25-30)42-37-11-9-35(48-37)40(27-15-21-44-22-16-27)33-7-5-31(46-33)39(26-13-19-43-20-14-26)32-6-8-34(47-32)41(28-17-23-45-24-18-28)36-10-12-38(42)49-36/h2-25,48-49H,1H3