1-[3-[4-[Di(Phenyl)Methyl]Piperazin-1-Yl]Propyl]-3-(Imidazol-1-Ylmethyl)Indole-6-Carboxylic Acid
[CAS# 172544-75-1]

Identification

• Name: 1-[3-[4-[Di(Phenyl)Methyl]Piperazin-1-Yl]Propyl]-3-(Imidazol-1-Ylmethyl)Indole-6-Carboxylic Acid
• Synonyms: 1-[3-[4-[Di(Phenyl)Methyl]-1-Piperazinyl]Propyl]-3-(1-Imidazolylmethyl)-6-Indolecarboxylic Acid; 1-(3-(4-Benzhydryl-1-Piperazinyl)Propyl)-3-(1H-Imidazol-1-Ylmethyl)-1H-Indole-6-Carboxylic Acid; Ky 234
• Molecular Formula: C₃₃H₃₅N₅O₂
• Molecular Weight: 533.67
• CAS Registry Number: 172544-75-1
• SMILES: C2=C(C1=CC=C(C=C1[N]2CCCN5CCN(C(C3=CC=CC=C3)C4=CC=CC=C4)CC5)C(=O)O)C[N]6C=NC=C6
• InChI: 1S/C33H35N5O2/c39-33(40)28-12-13-30-29(23-36-17-14-34-25-36)24-38(31(30)22-28)16-7-15-35-18-20-37(21-19-35)32(26-8-3-1-4-9-26)27-10-5-2-6-11-27/h1-6,8-14,17,22,24-25,32H,7,15-16,18-21,23H2,(H,39,40)
• InChIKey: HOZQCFWNPXAYPQ-UHFFFAOYSA-N

Properties

• Density: 1.229g/cm³ (Cal.)
• Boiling point: 758.922°C at 760 mmHg (Cal.)
• Flash point: 412.781°C (Cal.)