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

Systemtic Name: 5-(4-methoxyphenyl)-10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin Openeye Name: 5-(4-methoxyphenyl)-10,15,20-tris(4-pyridyl)-21,22-dihydroporphyrin CAS Name: 5-(4-methoxyphenyl)-10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin IUPAC Name: 5-(4-methoxyphenyl)-10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin Traditional Name: 5-(4-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=C(C=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=C(C=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/c1-50-30-4-2-26(3-5-30)39-31-6-8-33(46-31)40(27-14-20-43-21-15-27)35-10-12-37(48-35)42(29-18-24-45-25-19-29)38-13-11-36(49-38)41(28-16-22-44-23-17-28)34-9-7-32(39)47-34/h2-25,46-47H,1H3