Diphenethindole
[CAS# 72601-09-3]

Identification

• Name: Diphenethindole
• Synonyms: Brn 4591772; Diphenethindole; Pyrazino(1',2':1,6)Pyrido(3,4-B)Indole, 1,2,3,4,6,7,12,12A-Octahydro-2-(2-(Diphenylmethoxy)Ethyl)-
• Molecular Formula: C₂₉H₃₁N₃O
• Molecular Weight: 437.58
• CAS Registry Number: 72601-09-3
• SMILES: C1=CC=CC2=C1C4=C([NH]2)CN3CCN(CC3C4)CCOC(C5=CC=CC=C5)C6=CC=CC=C6
• InChI: 1S/C29H31N3O/c1-3-9-22(10-4-1)29(23-11-5-2-6-12-23)33-18-17-31-15-16-32-21-28-26(19-24(32)20-31)25-13-7-8-14-27(25)30-28/h1-14,24,29-30H,15-21H2
• InChIKey: JYRRLCNLAJMXFH-UHFFFAOYSA-N

Properties

• Density: 1.247g/cm³ (Cal.)
• Boiling point: 599.227°C at 760 mmHg (Cal.)
• Flash point: 316.202°C (Cal.)