1,3-bis(4-[N-(2,4-dichloro-1,3,5-triazin-6-yl)amino]phenoxy)-2,2-bis[(4-[N-(2,4-dichloro-1,3,5-triazin-6-yl)amino]phenoxy)methyl]propane

HCID 22015439

基本情報

標準SMILES
Clc1nc(Cl)nc(Nc2ccc(OCC(COc3ccc(Nc4nc(Cl)nc(Cl)n4)cc3)(COc3ccc(Nc4nc(Cl)nc(Cl)n4)cc3)COc3ccc(Nc4nc(Cl)nc(Cl)n4)cc3)cc2)n1
InChIKey
PFKMASXZOZHALD-UHFFFAOYSA-N
分子式
C41H28Cl8N16O4
平均分子量
1,092.4 g/mol
単同位体質量
1,087.998765

名称と識別子

優先名称
1,3-bis(4-[N-(2,4-dichloro-1,3,5-triazin-6-yl)amino]phenoxy)-2,2-bis[(4-[N-(2,4-dichloro-1,3,5-triazin-6-yl)amino]phenoxy)methyl]propane
IUPAC
4,6-dichloro-N-[4-[3-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenoxy]-2,2-bis[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenoxy]methyl]propoxy]phenyl]-1,3,5-triazin-2-amine

名称と別名

SCHEMBL5384004PFKMASXZOZHALD-UHFFFAOYSA-N1,3-bis(4-[n-(2,4-dichloro-1,3,5-triazin-6-yl) amino]phenoxy)-2,2-bis[(4-[n-(2,4-dichloro-1,3,5-triazin-6-yl)amino]phenoxy)methyl]propane1,3-bis(4-[n-(2,4-dichloro-1,3,5-triazin-6-yl)amino]phenoxy)-2,2-bis[(4-[n-(2,4-dichloro-1,3,5-triazin-6-yl) amino]phenoxy) methyl] propane1,3-bis(4-[n-(2,4-dichloro-1,3,5-triazin-6-yl)amino]phenoxy)-2,2-bis[(4-[n-(2,4-dichloro-1,3,5-triazin-6-yl) amino]phenoxy) methyl]propane1,3-bis(4-[N-(2,4-dichloro-1,3,5-triazin-6-yl)amino]phenoxy)-2,2-bis[(4-[N-(2,4-dichloro-1,3,5-triazin-6-yl)amino]phenoxy)methyl]propane1,3-bis(4-[n-(2,4-dichloro-1,3,5-triazin-6-yl)amino]phenoxy)-2,2-bis[(4-[n-(2,4-dichloro-1,3,5triazin-6-yl)amino]phenoxy)methyl]propane

データベース識別子

PubChem CID
22015439

物性

構造計算による物性

XLogP
14.4
極性表面積
240 Ų
水素結合供与体数
4
水素結合受容体数
20
回転可能結合数
20
重原子数
69

関連反応

6 件

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