26872-64-0 (2,9-二(2-羟基乙基)-蒽并[2,1,9-DEF:6,5,10-D'E'F']二异喹啉-1,3,8,10(2H,9H)-四酮,Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone,2,9-bis(2-hydroxyethyl)- (9CI))

CAS号:
26872-64-0
中文名称:
2,9-二(2-羟基乙基)-蒽并[2,1,9-DEF:6,5,10-D'E'F']二异喹啉-1,3,8,10(2H,9H)-四酮
英文名称:
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone,2,9-bis(2-hydroxyethyl)- (9CI)
分子式:
C28H18N2O6
分子量:
478.452327251434

2,9-二(2-羟基乙基)-蒽并[2,1,9-DEF:6,5,10-D'E'F']二异喹啉-1,3,8,10(2H,9H)-四酮(26872-64-0)名称与标识符

名称

中文别名:
2,9-二(2-羟基乙基)-蒽并[2,1,9-DEF:6,5,10-D'E'F']二异喹啉-1,3,8,10(2H,9H)-四酮;
英文别名:
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone,2,9-bis(2-hydroxyethyl)- (9CI);2,9-DI(2-HYDROXYETHYL)-ANTHRA2,1,9-DEF:6,5,10-D'E'F'DIISOQUINOLINE-1,3,8,10-TETRONE;N,N'-DI(2-HYDROXYETHYL)-PERYLENE-TETRACARBONIC ACID, DIAMIDE;2,9-bis-(2-hydroxy-ethyl)-anthra[2,1,9-def,6,5,10-d'e'f']diisoquinoline-1,3,8,10-tetraone;3,4,9,10-Perylenetetracarboxylic3,4:9,10-diimide, N,N'-bis(2-hydroxyethyl)- (8CI);N,N'-Bis(2-hydroxyethyl)-3,4:9,10-perylenebis(dicarboximide);N,N'-Bis(2-hydroxyethyl)-3,4:9,10-perylenetetracarboxylic diimide;N,N'-Bis(2-hydroxyethyl)perylene-3,4,9,10-tetracarboxylic 3,4:9,10-diimide;Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(2-hydroxyethyl)-;

标识符

InChIKey:
HWTZFYUZPOTJQA-UHFFFAOYSA-N
Inchi:
1S/C28H18N2O6/c31-11-9-29-25(33)17-5-1-13-14-2-6-19-24-20(28(36)30(10-12-32)27(19)35)8-4-16(22(14)24)15-3-7-18(26(29)34)23(17)21(13)15/h1-8,31-32H,9-12H2
SMILES:
C1(=O)C2=C3C4C(C5=CC=C6C7=C5C(C=4C=C2)=CC=C7C(=O)N(CCO)C6=O)=CC=C3C(=O)N1CCO

2,9-二(2-羟基乙基)-蒽并[2,1,9-DEF:6,5,10-D'E'F']二异喹啉-1,3,8,10(2H,9H)-四酮(26872-64-0)物化性质

实验特性

  • LogP : 1.94760
  • PSA : 118.60000
  • 沸点 : 811.3±55.0 °C(Predicted)
  • 酸度系数(pKa) : 14.05±0.10(Predicted)
  • 密度 : 1.635±0.06 g/cm3(Predicted)

计算特性

  • 精确分子量 : 478.11600