4-[15-(4-carboxyphenyl)-10,20-diphenyl-21,24-dihydroporphyrin-5-yl]benzoic acid

Systemtic Name: 4-[15-(4-carboxyphenyl)-10,20-diphenyl-21,24-dihydroporphyrin-5-yl]benzoic acid Openeye Name: 4-[15-(4-carboxyphenyl)-10,20-diphenyl-21,24-dihydroporphyrin-5-yl]benzoic acid CAS Name: 4-[15-(4-carboxyphenyl)-10,20-diphenyl-21,24-dihydroporphyrin-5-yl]benzoic acid IUPAC Name: 4-[15-(4-carboxyphenyl)-10,20-diphenyl-21,24-dihydroporphyrin-5-yl]benzoic acid Traditional Name: 4-[15-(4-carboxyphenyl)-10,20-diphenyl-21,24-dihydroporphin-5-yl]benzoic acid Formula: C46H30N4O4 MolecularWeight: 702.7548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H30N4O4/c51-45(52)31-15-11-29(12-16-31)43-37-23-19-33(47-37)41(27-7-3-1-4-8-27)34-20-24-38(48-34)44(30-13-17-32(18-14-30)46(53)54)40-26-22-36(50-40)42(28-9-5-2-6-10-28)35-21-25-39(43)49-35/h1-26,47-48H,(H,51,52)(H,53,54)