148044-16-0 ((1,3,4-Oxadiazole,2,2',2''-(1,3,5-benzenetriyl)tris[5-[4-(1,1-dimethylethyl)phenyl]-)

CAS号:
148044-16-0
英文名称:
1,3,4-Oxadiazole,2,2',2''-(1,3,5-benzenetriyl)tris[5-[4-(1,1-dimethylethyl)phenyl]-
分子式:
C42H42N6O3
分子量:
678.821289539337

1,3,4-Oxadiazole,2,2',2''-(1,3,5-benzenetriyl)tris[5-[4-(1,1-dimethylethyl)phenyl]-(148044-16-0)名称与标识符

名称

英文别名:
1,3,4-Oxadiazole,2,2',2''-(1,3,5-benzenetriyl)tris[5-[4-(1,1-dimethylethyl)phenyl]-;1,3,4-Oxadiazole, 2,2',2''-(1,3,5-benzenetriyl)tris[5-[4-(1,1-dimethylethyl)phenyl]-;

标识符

InChIKey:
KYHIIIOFBQPSFY-UHFFFAOYSA-N
Inchi:
1S/C42H42N6O3/c1-40(2,3)31-16-10-25(11-17-31)34-43-46-37(49-34)28-22-29(38-47-44-35(50-38)26-12-18-32(19-13-26)41(4,5)6)24-30(23-28)39-48-45-36(51-39)27-14-20-33(21-15-27)42(7,8)9/h10-24H,1-9H3
SMILES:
C1(C2=NN=C(C3=CC=C(C(C)(C)C)C=C3)O2)=CC(C2=NN=C(C3=CC=C(C(C)(C)C)C=C3)O2)=CC(C2=NN=C(C3=CC=C(C(C)(C)C)C=C3)O2)=C1

1,3,4-Oxadiazole,2,2',2''-(1,3,5-benzenetriyl)tris[5-[4-(1,1-dimethylethyl)phenyl]-(148044-16-0)物化性质

实验特性

  • PSA : 116.76
  • 沸点 : 801.0±75.0 °C(Predicted)
  • 酸度系数(pKa) : -5.51±0.39(Predicted)
  • 密度 : 1.152±0.06 g/cm3(Predicted)

计算特性

  • 精确分子量 : 678.33216