6'-[Ethyl(4-methylphenyl)amino]-2'-{[4-(1-pyrrolidinylsulfonyl)phenyl]amino}-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one
[CAS# 85223-12-7]

Identification

• Name: 6'-[Ethyl(4-methylphenyl)amino]-2'-{[4-(1-pyrrolidinylsulfonyl)phenyl]amino}-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one
• Synonyms: 1-[[4-[[6'-[ethyl(p-tolyl)amino]-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-2'-yl]amino]phenyl]sulphonyl]pyrrolidine
• Molecular Formula: C₃₉H₃₅N₃O₅S
• Molecular Weight: 657.78
• CAS Registry Number: 85223-12-7
• EINECS: 286-365-9
• SMILES: Cc1ccc(cc1)N(CC)c2ccc8c(c2)Oc5ccc(Nc3ccc(cc3)S(=O)(=O)N4CCCC4)cc5C78OC(=O)c6ccccc67
• InChI: 1S/C39H35N3O5S/c1-3-42(29-15-10-26(2)11-16-29)30-17-20-34-37(25-30)46-36-21-14-28(24-35(36)39(34)33-9-5-4-8-32(33)38(43)47-39)40-27-12-18-31(19-13-27)48(44,45)41-22-6-7-23-41/h4-5,8-21,24-25,40H,3,6-7,22-23H2,1-2H3
• InChIKey: ODFVAHYUYMPHJA-UHFFFAOYSA-N

Properties

• Density: 1.426g/cm³ (Cal.)
• Boiling point: 850.896°C at 760 mmHg (Cal.)
• Flash point: 468.405°C (Cal.)