3-(1-perhydro-2H-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl)]-1H-indazol-3-yl}phenylamine

HCID 21101182

基本情報

標準SMILES
Nc1cccc(-c2nn(C3CCCCO3)c3ccc(-c4ncn(C(c5ccccc5)(c5ccccc5)c5ccccc5)n4)cc23)c1
InChIKey
JCDUOXCDAPEHFI-UHFFFAOYSA-N
分子式
C39H34N6O
平均分子量
602.7 g/mol

名称と識別子

優先名称
3-(1-perhydro-2H-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl)]-1H-indazol-3-yl}phenylamine
IUPAC
3-[1-(oxan-2-yl)-5-(1-trityl-1,2,4-triazol-3-yl)indazol-3-yl]aniline

名称と別名

3-(1-perhydro-2H-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl)]-1H-indazol-3-yl}phenylamine3-{1-perhydro-2H-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl))-1H-indazol-3-yl}phenylamine3-{1-perhydro-2H-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl)]-1H-indazol-3-yl}phenylamineSCHEMBL5374181SCHEMBL5651015JCDUOXCDAPEHFI-UHFFFAOYSA-N3-{1-perhydro-2H-pyran-2-yl -5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl)]-1H-indazol-3-yl}phenylamine3-{1-perhydro-2h-pyran-2-yl-5-[1 -(triphenylmethyl)(1,2,4-triazol-3-yl)]-1h-indazol-3-yl}phenylamine3-{1-perhydro-2H-pyran-2-yl-5-[1-(triphenylmethyl) (1,2,4-triazol-3-yl)]-1H-indazol-3-yl}phenylamine3-{1-perhydro-2H-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4- triazol-3-yl)]-1H-indazol-3-yl}phenylamine3-{1-perhydro-2h-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl)]-1h-indazol-3-yl} phenylamine3-{1-perhydro-2H-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl)]-1H-indazol-3-yl}phenyl Amine
名称をさらに表示
3-{1-perhydro-2H-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl)]-1H-indazole-3-yl}phenylamine3-{1-perhydro-2h-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4triazol-3-yl)]-1h-indazol-3-yl}phenylamine3-{1-perhydro-2h-pyran-2-yl-5-[l -(triphenylmethyl)(1,2,4-triazol-3-yl)]-1h-indazol-3-yl}phenylamine3-{1-perhydro-2h-pyran-2-yl-5[-1-(triphenylmethyl)(1,2,4-triazol-3-yl)]-1h-indazol-3-yl}phenylamine

データベース識別子

PubChem CID
21101182

物性

構造計算による物性

XLogP
7.8
極性表面積
83.8 Ų
水素結合供与体数
1
水素結合受容体数
5
回転可能結合数
7
重原子数
46

関連反応

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