基本情報
- CAS
74032-64-7- 標準SMILES
CCN(CC)CCN=Cc1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=NCCN(CC)CC)c4c3O)c(O)c12- InChIKey
WQWALOPHLHWWBW-UHFFFAOYSA-N- 分子式
- C42H58N4O6
- 平均分子量
- 714.9 g/mol
- 単同位体質量
- 714.43563558
名称と識別子
- 優先名称
- 8-[(E)-2-diethylaminoethyliminomethyl]-2-[8-[(E)-2-diethylaminoethyliminomethyl]-1,6,7-trihydroxy-5-isopropyl-3-methyl-2-naphthyl]-5-isopropyl-3-methyl-naphthalene-1,6,7-triol
- IUPAC
- 8-[2-(diethylamino)ethyliminomethyl]-2-[8-[2-(diethylamino)ethyliminomethyl]-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl]-3-methyl-5-propan-2-ylnaphthalene-1,6,7-triol
- 英語名
- (1Z)-1-[(2-diethylaminoethylamino)methylidene]-7-[(8Z)-8-[(2-diethylaminoethylamino)methylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-yl-naphthalen-2-yl]-3,8-dihydroxy-6-methyl-4-propan-2-yl-naphthalen-2-one
- 分子式
- C42H58N4O6
- 分子量
- 714.93
名称と別名
74032-64-7NSC40264NSC 40264CHEMBL1973576NSC-402648-[(E)-2-diethylaminoethyliminomethyl]-2-[8-[(E)-2-diethylaminoethyliminomethyl]-1,6,7-trihydroxy-5-isopropyl-3-methyl-2-naphthyl]-5-isopropyl-3-methyl-naphthalene-1,6,7-triolNCI60_003782[2,2'-Binaphthalene]-1,1',6,6',7,7'-hexol, 8,8'-bis[(E)-[[2-(diethylamino)ethyl]imino]methyl]-3,3'-dimethyl-5,5'-bis(1-methylethyl)-[2,2'-Binaphthalene]-1,1',6,6',7,7'-hexol, 8,8'-bis[[[2-(diethylamino)ethyl]imino]methyl]-3,3'-dimethyl-5,5'-bis(1-methylethyl)-(1Z)-1-[(2-diethylaminoethylamino)methylidene]-7-[(8Z)-8-[(2-diethylaminoethylamino)methylidene]-1,6-dihydroxy-3-methyl-7-oxo-5-propan-2-yl-naphthalen-2-yl]-3,8-dihydroxy-6-methyl-4-propan-2-yl-naphthalen-2-one
データベース識別子
- CAS
74032-64-7- PubChem CID
- 237052
- ChEMBL
CHEMBL1973576
物性
構造計算による物性
- XLogP
- 7.6
- 極性表面積
- 153 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 10
- 回転可能結合数
- 15
- 重原子数
- 52
- 形式電荷
- 0
- 複雑度
- 1,050
物理化学的性質
- 沸点
- 819.724 · 819.724±65.00 °C(Press: 760.00 Torr)(predicted)
- 比重(密度)
- 1.194 · 1.194±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 酸解離定数(Pka)
- 6.108 · 6.108±0.50(predicted)
関連反応
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