56913-55-4
TETRAETHYL 1,1'-(1,1'-BIPHENYL-4,4'-DIYL)BIS(2,5-DIMETHYL-1 H-PYRROLE-3,4-DICARBOXYLATE)
NameTETRAETHYL 1,1'-(1,1'-BIPHENYL-4,4'-DIYL)BIS(2,5-DIMETHYL-1 H-PYRROLE-3,4-DICARBOXYLATE)
1Identification
【Name】
TETRAETHYL 1,1'-(1,1'-BIPHENYL-4,4'-DIYL)BIS(2,5-DIMETHYL-1 H-PYRROLE-3,4-DICARBOXYLATE)
【CAS】
【MDL】
MFCD00274284
【English Synonyms】
【Formula】
C36 H40 N2 O8
【MolWeight】
628.718
【Inchi】
InChI=1S/C36H40N2O8/c1-9-43-33(39)29-21(5)37(22(6)30(29)34(40)44-10-2)27-17-13-25(14-18-27)26-15-19-28(20-16-26)38-23(7)31(35(41)45-11-3)32(24(38)8)36(42)46-12-4/h13-20H,9-12H2,1-8H3
【InChIKey】
InChIKey=MYAAGCNPJREQBZ-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(n(c(c1C(=O)OCC)C)c2ccc(cc2)c3ccc(cc3)n4c(c(c(c4C)C(=O)OCC)C(=O)OCC)C)C
【MOL File】
TETRAETHYL 1,1'-(1,1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:10
XLogP3:8.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TETRAETHYL 1,1'-(1,1'-BIPHENYL-4,4'-DIYL)BIS(2,5-DIMETHYL-1 H-PYRROLE-3,4-DICARBOXYLATE).cml