基本情報
- CAS
5437-88-7- 標準SMILES
COc1cc(-c2ccc(N=Nc3c(O)c(C(=O)Nc4ccccc4OC)cc4ccccc34)c(OC)c2)ccc1N=Nc1c(O)c(C(=O)Nc2ccccc2OC)cc2ccccc12- InChIKey
KLBVIRPOVIVOLL-UHFFFAOYSA-N- 分子式
- C50H40N6O8
- 平均分子量
- 852.9 g/mol
- 単同位体質量
- 852.29076226
名称と識別子
- 優先名称
- 2-Naphthalenecarboxamide, 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[3-hydroxy-N-(2-methoxyphenyl)-
- IUPAC
- 3-hydroxy-4-[[4-[4-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
名称と別名
Chromophyl Blue B-70C.I. 21185EINECS 226-614-0NSC 160942-Naphthalenecarboxamide, 4,4'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(2,1-diazenediyl))bis(3-hydroxy-N-(2-methoxyphenyl)-2-Naphthalenecarboxamide, 4,4'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(3-hydroxy-N-(2-methoxyphenyl)-2-Naphthalenecarboxamide, 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[3-hydroxy-N-(2-methoxyphenyl)-2-Naphthalenecarboxamide, 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-hydroxy-N-(2-methoxyphenyl)-RefChem:476438Dianisidine blue5437-88-73-hydroxy-4-[[4-[4-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
名称をさらに表示
DTXSID8063884SCHEMBL29394937NSC16094NSC-16094NS000443702-Naphthalenecarboxamide,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-hydroxy-N-(2-methoxyphenyl)-4,4'-((3,3'-Dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide)4,4'-[(3,3'-Dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(diazene-2,1-diyl)]bis[3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide]
物性
構造計算による物性
- XLogP
- 11.5
- 極性表面積
- 185 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 12
- 回転可能結合数
- 13
- 重原子数
- 64
- 形式電荷
- 0
- 複雑度
- 1,460
化学と産業
用途と製造
General Manufacturing Information2-Naphthalenecarboxamide, 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[3-hydroxy-N-(2-methoxyphenyl)-: INACTIVE
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