14945-24-5 (5,10,15,20-四-(二甲基氨基苯)卟啉,5,10,15,20-Tetrakis(4-dimethylaminophenyl)porphyrin)

CAS号:
14945-24-5
中文名称:
5,10,15,20-四-(二甲基氨基苯)卟啉
英文名称:
5,10,15,20-Tetrakis(4-dimethylaminophenyl)porphyrin
分子式:
C52H50N8
分子量:
787.007010936737

5,10,15,20-四-(二甲基氨基苯)卟啉(14945-24-5)名称与标识符

名称

中文别名:
5,10,15,20-四-(二甲基氨基苯)卟啉;四(4-N,N-二甲氨基苯基)卟啉;
英文别名:
5,10,15,20-TETRA(4-DIMETHYLAMINOPHENYL)PORPHYRIN;N,N-dimethyl-4-[10,15,20-tris[4-(dimethylamino)phenyl]-21,24-dihydroporphyrin-5-yl]aniline;5,10,15,20-tetrakis(4-(N,N-dimethylamino)phenyl)-21H,23H-porphine;meso-Tetra-(4-dimethylamino-phenyl)-porphin;N,N,N',N'-Tetrakis(4-(dibutylamino)phenyl)-1,4-benzenediamine;N,N,N',N'-tetrakis(p-dibutylaminophenyl)-p-phenylene diamine;N1,N1'-(1,4-Phenylene)bis(N4,N4-dibutyl-N1-(;tetrakis(4-N,N-dimethylaminophenyleneporphyrin);tetrakis-[N,N,N',N'-(p-(N",N"-di-(n-butyl)amino)phenyl)]phenylenediamine;Tetrakis-<4-dimethylamino-phenyl>-porphin;RARECHEM AS SA 0032;5,10,15,20-TETRAKIS-(4-N,N-DIMETHYLAMINOPHENYL)-21,23H-PORPHYRIN;5,10,15,20-Tetrakis(4-dimethylaminophenyl)porphyrin;tetra-(p-dimethylaminophenyl)porphine;Tetrakis(4-N,N-dimethylaminophenyl)porphyrin;Dimethyl(4-{7,12,17-tris[4-(dimethylamino)phenyl]-21,22,23,24-tetraazapentacyclo[16.2.1.1<3,6>.1<8,11>.1<13,16>]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl}phenyl)amine;14945-24-5;N,N-dimethyl-4-[10,15,20-tris[4-(dimethylamino)phenyl]-21,23-dihydroporphyrin-5-yl]aniline;N,N-dimethyl-4-[(5Z,10Z,14Z,19Z)-10,15,20-tris(4-dimethylaminophenyl)-21,23-dihydroporphyrin-5-yl]aniline;E84265;DD-037;SCHEMBL4447465;4,4',4'',4'''-(Porphyrin-5,10,15,20-tetrayl)tetrakis(N,N-dimethylaniline);5,10,15,20-Tetra(4-dimethylaminophenyl)porphine;YSWG475;CS-0110954;Benzenamine,4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis[N,N-dimethyl-;MFCD01074432;Benzenamine, 4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis[N,N-dimethyl-;N,N-dimethyl-4-{7,12,17-tris[4-(dimethylamino)phenyl]-21,22,23,24-tetraazapentacyclo[16.2.1.1(3),?.1?,(1)(1).1(1)(3),(1)?]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl}aniline;

标识符

InChIKey:
ONCMAEBURQZDQU-RCOMQYLTSA-N
Inchi:
1S/C52H50N8/c1-57(2)37-17-9-33(10-18-37)49-41-25-27-43(53-41)50(34-11-19-38(20-12-34)58(3)4)45-29-31-47(55-45)52(36-15-23-40(24-16-36)60(7)8)48-32-30-46(56-48)51(44-28-26-42(49)54-44)35-13-21-39(22-14-35)59(5)6/h9-32,53,56H,1-8H3/b49-41-,49-42-,50-43-,50-45-,51-44-,51-46-,52-47-,52-48-
SMILES:
N1C2C=CC1=C(C1C=CC(=CC=1)N(C)C)C1C=CC(=C(C3C=CC(=CC=3)N(C)C)C3=CC=C(C(C4C=CC(=CC=4)N(C)C)=C4C=CC(C=2C2C=CC(=CC=2)N(C)C)=N4)N3)N=1 |c:20,51,t:5,46|

5,10,15,20-四-(二甲基氨基苯)卟啉(14945-24-5)物化性质

实验特性

  • LogP : 7.13020
  • PSA : 69.26000
  • 颜色与性状 : 未确定
  • 溶解性 : 未确定

计算特性

  • 精确分子量 : 786.41600
  • 氢键供体数量 : 2
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 8
  • 同位素质量 : 786.416
  • 重原子数量 : 60
  • 复杂度 : 1130
  • 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 : 0
  • 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) : 10.9
  • 互变异构体数量 : 2
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 70.3

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