基本情報
- 標準SMILES
CC1(C)OB(c2cccc(B3Nc4cccc5cccc(c45)N3)c2)OC1(C)C- InChIKey
DUHMHQCZFHLKDR-UHFFFAOYSA-N- 分子式
- C22H24B2N2O2
- 平均分子量
- 370.1 g/mol
名称と識別子
- 優先名称
- M-Benzenediboronic acid pinacol ester, 1,8-diaminonaphthalene, protected
- IUPAC
- 3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
名称と別名
950511-17-8MFCD17018842M-Benzenediboronic acid pinacol ester, 1,8-diaminonaphthalene, protected2-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine3-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene(3-(1H-NAPHTHO[1,8-DE][1,3,2]DIAZABORININ-2(3H)-YL)PHENYL)BORONIC ACID PINACOL ESTER2,3-Dihydro-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxan-2yl)phenyl]-1H-naphtho[1,8-de][1,3,2]diazaborinine3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.0^{5,13}]trideca- 1(13),5,7,9,11-pentaene2-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine3-[3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaeneSCHEMBL15793683DUHMHQCZFHLKDR-UHFFFAOYSA-N
名称をさらに表示
AKOS022168227AS-2778CS-0175650F5321891-(2,3-dihydro-1H-naphtho[1,8-de]-1,3,2-diazaborinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene1H-Naphtho[1,8-de]-1,3,2-diazaborine, 2,3-dihydro-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-Dihydro-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-naphtho[1,8-de]-1,3,2-diazaborine2,3-Dihydro-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-naphtho[1,8-de][1,3,2]diazaborinine
データベース識別子
- PubChem CID
- 71306573
- Nikkaji
- J2.560.441E
物性
構造計算による物性
- 極性表面積
- 42.5 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 2
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 551
関連反応
1 件
化合物ノート
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