7-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]heptanoic acid

Systemtic Name: 7-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]heptanoic acid Openeye Name: 7-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]heptanoic acid CAS Name: 7-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]heptanoic acid IUPAC Name: 7-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]heptanoic acid Traditional Name: 7-[4-(10,15,20-triphenyl-23,24-dihydroporphin-5-yl)phenyl]enanthic acid Formula: C51H42N4O2 MolecularWeight: 742.90478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)CCCCCCC(=O)O)C8=CC=CC=C8)C9=CC=CC=C9)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)CCCCCCC(=O)O)C8=CC=CC=C8)C9=CC=CC=C9)N3

InChI

InChI=1S/C51H42N4O2/c56-47(57)21-13-2-1-6-14-34-22-24-38(25-23-34)51-45-32-30-43(54-45)49(36-17-9-4-10-18-36)41-28-26-39(52-41)48(35-15-7-3-8-16-35)40-27-29-42(53-40)50(37-19-11-5-12-20-37)44-31-33-46(51)55-44/h3-5,7-12,15-20,22-33,52-53H,1-2,6,13-14,21H2,(H,56,57)