6'-(Dibutylamino)-2'-{[4-(1-piperidinylsulfonyl)phenyl]amino}-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one
[CAS# 85223-13-8]

Identification

• Name: 6'-(Dibutylamino)-2'-{[4-(1-piperidinylsulfonyl)phenyl]amino}-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one
• Synonyms: 1-[[4-[[6'-(dibutylamino)-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-2'-yl]amino]phenyl]sulphonyl]piperidine
• Molecular Formula: C₃₉H₄₃N₃O₅S
• Molecular Weight: 665.84
• CAS Registry Number: 85223-13-8
• EINECS: 286-366-4
• SMILES: O=S(=O)(N1CCCCC1)c2ccc(cc2)Nc6ccc7Oc3cc(ccc3C5(OC(=O)c4ccccc45)c7c6)N(CCCC)CCCC
• InChI: 1S/C39H43N3O5S/c1-3-5-22-41(23-6-4-2)30-17-20-34-37(27-30)46-36-21-16-29(26-35(36)39(34)33-13-9-8-12-32(33)38(43)47-39)40-28-14-18-31(19-15-28)48(44,45)42-24-10-7-11-25-42/h8-9,12-21,26-27,40H,3-7,10-11,22-25H2,1-2H3
• InChIKey: DQZZIPZLLBZSNG-UHFFFAOYSA-N

Properties

• Density: 1.332g/cm³ (Cal.)
• Boiling point: 821.049°C at 760 mmHg (Cal.)
• Flash point: 450.354°C (Cal.)