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

Systemtic Name: methyl 4-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)benzoate Openeye Name: methyl 4-[10,15,20-tris(4-pyridyl)-21,22-dihydroporphyrin-5-yl]benzoate CAS Name: 4-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)benzoate Traditional Name: 4-[10,15,20-tris(4-pyridyl)-21,22-dihydroporphin-5-yl]benzoic acid methyl ester Formula: C43H29N7O2 MolecularWeight: 675.73606

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=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

COC(=O)C1=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/C43H29N7O2/c1-52-43(51)30-4-2-26(3-5-30)39-31-6-8-33(47-31)40(27-14-20-44-21-15-27)35-10-12-37(49-35)42(29-18-24-46-25-19-29)38-13-11-36(50-38)41(28-16-22-45-23-17-28)34-9-7-32(39)48-34/h2-25,47-48H,1H3