methyl 4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)benzoate

Systemtic Name: methyl 4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)benzoate Openeye Name: methyl 4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)benzoate CAS Name: 4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)benzoate Traditional Name: 4-(10,15,20-triphenyl-23,24-dihydroporphin-5-yl)benzoic acid methyl ester Formula: C46H32N4O2 MolecularWeight: 672.77188

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)N4)C9=CC=CC=C9

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)N4)C9=CC=CC=C9

InChI

InChI=1S/C46H32N4O2/c1-52-46(51)33-19-17-32(18-20-33)45-40-27-25-38(49-40)43(30-13-7-3-8-14-30)36-23-21-34(47-36)42(29-11-5-2-6-12-29)35-22-24-37(48-35)44(31-15-9-4-10-16-31)39-26-28-41(45)50-39/h2-28,47-48H,1H3