3-[4-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)phenyl]prop-2-ynoic acid

Systemtic Name: 3-[4-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)phenyl]prop-2-ynoic acid Openeye Name: 3-[4-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)phenyl]prop-2-ynoic acid CAS Name: 3-[4-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)phenyl]-2-propynoic acid IUPAC Name: 3-[4-(10,20-diphenyl-23,24-dihydroporphyrin-5-yl)phenyl]prop-2-ynoic acid Traditional Name: 3-[4-(10,20-diphenyl-23,24-dihydroporphin-5-yl)phenyl]propiolic acid Formula: C41H26N4O2 MolecularWeight: 606.67074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C#CC(=O)O)C8=CC=CC=C8)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C#CC(=O)O)C8=CC=CC=C8)N3

InChI

InChI=1S/C41H26N4O2/c46-38(47)24-13-26-11-14-29(15-12-26)41-36-22-20-34(44-36)39(27-7-3-1-4-8-27)32-18-16-30(42-32)25-31-17-19-33(43-31)40(28-9-5-2-6-10-28)35-21-23-37(41)45-35/h1-12,14-23,25,42-43H,(H,46,47)