Bis-(2,2,6,6-tetramethylbenzo[1,2-d:4,5-d']-bis(1,3)dithiole-4-yl)-mono-(2,2,6,6-tetramethylbenzo[1,2-d:4,5-d']-bis(1,3)dioxol-4-yl)methanol (HCID 86752294)

基本情報

標準SMILES: CC1(C)Oc2cc3c(c(C(O)(c4c5c(cc6c4SC(C)(C)S6)SC(C)(C)S5)c4c5c(cc6c4SC(C)(C)S6)SC(C)(C)S5)c2O1)OC(C)(C)O3
InChIKey: PQTWLDNTQDNIML-UHFFFAOYSA-N
分子式: C37H40O5S8
平均分子量: 821.2 g/mol

名称と識別子

優先名称: Bis-(2,2,6,6-tetramethylbenzo[1,2-d:4,5-d']-bis(1,3)dithiole-4-yl)-mono-(2,2,6,6-tetramethylbenzo[1,2-d:4,5-d']-bis(1,3)dioxol-4-yl)methanol
IUPAC: (2,2,6,6-tetramethyl-[1,3]dioxolo[4,5-f][1,3]benzodioxol-8-yl)-bis(2,2,6,6-tetramethyl-[1,3]dithiolo[4,5-f][1,3]benzodithiol-8-yl)methanol

名称と別名

SCHEMBL7523102PQTWLDNTQDNIML-UHFFFAOYSA-NBis-(2,2,6,6-tetramethylbenzo[1,2-d:4,5-d']-bis(1,3)-dithiole-4-yl)-mono-(2,2,6,6-tetramethylbenzo[1,2-d:4,5-d']-bis(1,3)dioxole-4-yl)methanolBis-(2,2,6,6-tetramethylbenzo[1,2-d:4,5-d']-bis(1,3)dithiole-4-yl)-mono-(2,2,6,6-tetramethylbenzo[1,2-d:4,5-d']-bis(1,3)dioxol-4-yl)methanol

データベース識別子

PubChem CID: 86752294

物性

構造計算による物性

XLogP: 11.1
極性表面積: 260 Å²
水素結合供与体数: 1
水素結合受容体数: 13
回転可能結合数: 3
重原子数: 50
形式電荷: 0
複雑度: 1,230

化合物ノート

読み込み中…