65322-64-7 ((1H-Perimidine,2,3-dihydro-2,2-dimethyl-4-[2-[4-(2-phenyldiazenyl)-1-naphthalenyl]diazenyl]-)

CAS号:
65322-64-7
英文名称:
1H-Perimidine,2,3-dihydro-2,2-dimethyl-4-[2-[4-(2-phenyldiazenyl)-1-naphthalenyl]diazenyl]-
分子式:
C29H24N6
分子量:
456.541065216064

1H-Perimidine,2,3-dihydro-2,2-dimethyl-4-[2-[4-(2-phenyldiazenyl)-1-naphthalenyl]diazenyl]-(65322-64-7)名称与标识符

名称

英文别名:
1H-Perimidine,2,3-dihydro-2,2-dimethyl-4-[2-[4-(2-phenyldiazenyl)-1-naphthalenyl]diazenyl]-;(2,2-dimethyl-4-naphthalen-1-yl-3,3a-dihydro-1H-perimidin-4-yl)-phenyldiazenyldiazene;2,3-dihydro-2,2-dimethyl-4-[[1-naphthyl-4-(phenylazo)]azo]-1H-perimidine;2,2-dimethyl-4-naphthalen-1-yl-4-[(1E,3E)-4-phenyltetraaza-1,3-dien-1-yl]-2,3,3a,4-tetrahydro-1H-perimidine;2,3-Dihydro-2,2-dimethyl-4-((1-naphthyl-4-(phenylazo))azo)-1H-perimidine;65322-64-7;Sudan Black B Impurity 1;DTXSID101122240;2,3-dihydro-2,2-dimethyl-4-[(4-phenylazo-1-naphthalenyl)-azo]-1h-perimidine;1H-Perimidine, 2,3-dihydro-2,2-dimethyl-4-[[4-(phenylazo)-1-naphthalenyl]azo]- (9CI); 2,3-Dihydro-2,2-dimethyl-4-[2-[4-(2-phenyldiazenyl)-1-naphthalenyl]diazenyl]-1H-perimidine; 2,3-Dihydro-2,2-dimethyl-4-[(4-phenylazo-1-naphthalenyl)-azo]-1H-perimidine;2,3-Dihydro-2,2-dimethyl-4-[2-[4-(2-phenyldiazenyl)-1-naphthalenyl]diazenyl]-1H-perimidine;SCHEMBL21869789;

标识符

InChIKey:
GJCRKKWVOHKHIQ-VPHDGDOJSA-N
Inchi:
1S/C29H24N6/c1-29(2)30-25-14-8-9-19-15-16-26(28(31-29)27(19)25)35-34-24-18-17-23(21-12-6-7-13-22(21)24)33-32-20-10-4-3-5-11-20/h3-18,30-31H,1-2H3/b33-32+,35-34+
SMILES:
N1C2C(=CC=C3C=CC=C(C=23)NC1(C)C)/N=N/C1=CC=C(C2C=CC=CC1=2)/N=N/C1C=CC=CC=1

1H-Perimidine,2,3-dihydro-2,2-dimethyl-4-[2-[4-(2-phenyldiazenyl)-1-naphthalenyl]diazenyl]-(65322-64-7)物化性质

实验特性

  • 折射率 : 1.692
  • 沸点 : 617.4°C at 760 mmHg
  • 闪点 : 327.2°C
  • 密度 : 1.25

计算特性

  • 精确分子量 : 458.221895
  • 氢键供体数量 : 2
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 4
  • 同位素质量 : 458.221895
  • 重原子数量 : 35
  • 复杂度 : 829
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 2
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 8.4
  • 拓扑分子极性表面积 : 73.5