基本情報
- CAS
88761-85-7- 標準SMILES
Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3ccccc3O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3ccccc3O)c2c1O- InChIKey
BNKCDINDHUDPHA-UHFFFAOYSA-N- 分子式
- C42H40N2O8
- 平均分子量
- 700.8 g/mol
- 単同位体質量
- 700.27846624
名称と識別子
- 優先名称
- 8,8'-bis((E)-((2-hydroxyphenyl)imino)methyl)-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-1,1',6,6',7,7'-hexol
- IUPAC
- 8-[(2-hydroxyphenyl)iminomethyl]-3-methyl-5-propan-2-yl-2-[1,6,7-trihydroxy-8-[(2-hydroxyphenyl)iminomethyl]-3-methyl-5-propan-2-ylnaphthalen-2-yl]naphthalene-1,6,7-triol
名称と別名
88761-85-7NSC-408714852AJA69A7UNII-852AJA69A7NSC408714NSC 4087148,8'-bis((E)-((2-hydroxyphenyl)imino)methyl)-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-1,1',6,6',7,7'-hexol8,8'-bis{(E)-[(2-hydroxyphenyl)imino]methyl}-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-1,1',6,6',7,7'-hexol(2,2'-BINAPHTHALENE)-1,1',6,6',7,7'-HEXOL, 8,8'-BIS(((2-HYDROXYPHENYL)IMINO)METHYL)-3,3'-DIMETHYL-5,5'-BIS(1-METHYLETHYL)-8,8'-BIS(((2-HYDROXYPHENYL)IMINO)METHYL)-3,3'-DIMETHYL-5,5'-BIS(1-METHYLETHYL)(2,2'-BINAPHTHALENE)-1,1',6,6',7,7'-HEXOL8-((2-HYDROXYPHENYL)IMINOMETHYL)-3-METHYL-5-PROPAN-2-YL-2-(1,6,7-TRIHYDROXY-8-((2-HYDROXYPHENYL)IMINOMETHYL)-3-METHYL-5-PROPAN-2-YLNAPHTHALEN-2-YL)NAPHTHALENE-1,6,7-TRIOL8-[(E)-(2-hydroxyphenyl)iminomethyl]-5-isopropyl-3-methyl-2-[1,6,7-trihydroxy-8-[(E)-(2-hydroxyphenyl)iminomethyl]-5-isopropyl-3-methyl-2-naphthyl]naphthalene-1,6,7-triol
データベース識別子
- CAS
88761-85-7- PubChem CID
- 349142
- UNII
- 852AJA69A7
物性
構造計算による物性
- XLogP
- 8.8
- 極性表面積
- 187 Ų
- 水素結合供与体数
- 8
- 水素結合受容体数
- 10
- 回転可能結合数
- 7
- 重原子数
- 52
- 形式電荷
- 0
- 複雑度
- 1,140
関連反応
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