4-(10,15,20-Triphenyl-5-porphyrinyl)benzoic acid
[CAS 95051-10-8]

Identification

• Name: 4-(10,15,20-Triphenyl-5-porphyrinyl)benzoic acid
• Synonyms: 5-(4-Carboxyphenyl)-10,15,20-triphenyl-21H,23H-porphine; 5-(4'-carboxyphenyl)-10,15,20-triphenylporphyrin; 5-(4-carboxyphenyl)-10,15,20-triphenyl-porphyrin
• Molecular Formula: C₄₅H₃₀N₄O₂
• Molecular Weight: 658.75
• CAS Registry Number: 95051-10-8
• SMILES: C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=C(C=C8)C(=O)O)C=C4)C9=CC=CC=C9)N3
• InChI: 1S/C45H30N4O2/c50-45(51)32-18-16-31(17-19-32)44-39-26-24-37(48-39)42(29-12-6-2-7-13-29)35-22-20-33(46-35)41(28-10-4-1-5-11-28)34-21-23-36(47-34)43(30-14-8-3-9-15-30)38-25-27-40(44)49-38/h1-27,46,49H,(H,50,51)/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
• InChIKey: GZTMFXHPFNRUNU-LWQDQPMZSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)

References

• (1): Gennaro Pescitelli, Lorenzo Di Bari and Nina Berova. Conformational aspects in the studies of organic compounds by electronic circular dichroism, Chem. Soc. Rev., 2011, 40, 4603.