1(3H)-Isobenzofuranone, 3-[2,4-bis(dimethylamino)phenyl]-3-[4-(diethylamino)-2-methylphenyl]-

HCID 23343365

基本情報

CAS
52830-80-5
標準SMILES
CCN(CC)c1ccc(C2(c3ccc(N(C)C)cc3N(C)C)OC(=O)c3ccccc32)c(C)c1
InChIKey
YEWGFFJIKYOBSD-UHFFFAOYSA-N
分子式
C29H35N3O2
平均分子量
457.6 g/mol
単同位体質量
457.27292736

名称と識別子

優先名称
1(3H)-Isobenzofuranone, 3-[2,4-bis(dimethylamino)phenyl]-3-[4-(diethylamino)-2-methylphenyl]-
IUPAC
3-[2,4-bis(dimethylamino)phenyl]-3-[4-(diethylamino)-2-methylphenyl]-2-benzofuran-1-one

名称と別名

52830-80-51(3H)-Isobenzofuranone, 3-[2,4-bis(dimethylamino)phenyl]-3-[4-(diethylamino)-2-methylphenyl]-SCHEMBL11438894DTXSID90886017NS000580262,4-bis(dimethylamino)-phenyl-3-(2-methyl-4-(diethylamino)phenyl)phthalide3-(2,4-bis(dimethylamino)-phenyl)-3-(2-methyl-4-(diethylamino)phenyl)phthalide3-(2,4-bis(dimethylamino)phenyl)-3-(2-methyl-4-(diethylamino)phenyl)phthalide3-[2,4-Bis(dimethylamino)phenyl]-3-[4-(diethylamino)-2-methylphenyl]-2-benzofuran-1(3H)-one

データベース識別子

CAS
52830-80-5
PubChem CID
23343365
DTXSID
DTXSID90886017
EC Number
258-213-1
Nikkaji
J295.815E

物性

構造計算による物性

XLogP
6
極性表面積
36 Ų
水素結合供与体数
0
水素結合受容体数
5
回転可能結合数
7
重原子数
34

化学と産業

用途と製造

General Manufacturing Information1(3H)-Isobenzofuranone, 3-[2,4-bis(dimethylamino)phenyl]-3-[4-(diethylamino)-2-methylphenyl]-: INACTIVE

関連反応

8 件

化合物ノート

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