859220-71-6
1H-INDENE-1,3(2H)-DIONE, 5,5-(1-METHYLETHYLIDENE)BIS[2-(3,4-DIHYDRO-6,7,8-TRIMETHOXY-4-OXO-3-PHENYL-2-QUINAZOLINYL)-
Name1H-INDENE-1,3(2H)-DIONE, 5,5-(1-METHYLETHYLIDENE)BIS[2-(3,4-DIHYDRO-6,7,8-TRIMETHOXY-4-OXO-3-PHENYL-2-QUINAZOLINYL)-
1Identification
【Name】
1H-INDENE-1,3(2H)-DIONE, 5,5-(1-METHYLETHYLIDENE)BIS[2-(3,4-DIHYDRO-6,7,8-TRIMETHOXY-4-OXO-3-PHENYL-2-QUINAZOLINYL)-
【CAS】
【MDL】
MFCD17018174
【English Synonyms】
【Formula】
C55 H44 N4 O12
【MolWeight】
952.969
【Inchi】
InChI=1S/C55H44N4O12/c1-55(2,27-19-21-31-33(23-27)45(62)39(43(31)60)51-56-41-35(25-37(66-3)47(68-5)49(41)70-7)53(64)58(51)29-15-11-9-12-16-29)28-20-22-32-34(24-28)46(63)40(44(32)61)52-57-42-36(26-38(67-4)48(69-6)50(42)71-8)54(65)59(52)30-17-13-10-14-18-30/h9-26,39-40H,1-8H3
【InChIKey】
InChIKey=WHNMJIGBJLEXJY-UHFFFAOYSA-N
【SMILES】
CC(C)(c1ccc2c(c1)C(=O)C(C2=O)c3nc4c(cc(c(c4OC)OC)OC)c(=O)n3c5ccccc5)c6ccc7c(c6)C(=O)C(C7=O)c8nc9c(cc(c(c9OC)OC)OC)c(=O)n8c1ccccc1
【MOL File】
1H-INDENE-1,3(2H)-DI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:16
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-INDENE-1,3(2H)-DIONE, 5,5-(1-METHYLETHYLIDENE)BIS[2-(3,4-DIHYDRO-6,7,8-TRIMETHOXY-4-OXO-3-PHENYL-2-QUINAZOLINYL)-.cml