Chem
J-GLOBAL ID：200907055971012861
Nikkaji number：J2.329.864C
N1,N2-Bis[(R)-α-methylbenzyl]-2,6-bis[4-(4-pyridylethynyl)phenyl]benzamidine
N1,N2-ビス[(R)-α-メチルベンジル]-2,6-ビス[4-(4-ピリジルエチニル)フェニル]ベンズアミジン
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C49H38N4
Molecular formula furigana： C49-H38-N4
Molecular weight： 682.871
InChI：
InChI=1S/C49H38N4/c1-36(42-10-5-3-6-11-42)52-49(53-37(2)43-12-7-4-8-13-43)48-46(44-24-20-38(21-25-44)16-18-40-28-32-50-33-29-40)14-9-15-47(48)45-26-22-39(23-27-45)17-19-41-30-34-51-35-31-41/h3-15,20-37H,1-2H3,(H,52,53)/t36-,37?/m1/s1
InChI key：
FQORKZWIGBBRPG-RKROREJRSA-N
SMILES：
CC(NC(=N[C@H](C)c1ccccc1)c1c(cccc1c1ccc(cc1)C#Cc1ccncc1)c1ccc(cc1)C#Cc1ccncc1)c1ccccc1
Systematic name (3)：
- N1,N2-ビス[(R)-α-メチルベンジル]-2,6-ビス[4-(4-ピリジルエチニル)フェニル]ベンズアミジン
- N,N'-ビス[(1R)-1-フェニルエチル]-4'-[2-(ピリジン-4-イル)エチニル]-3-{4-[2-(ピリジン-4-イル)エチニル]フェニル}-[1,1'-ビフェニル]-2-カルボキシミドアミド
- N,N'-bis[(1R)-1-phenylethyl]-4'-[2-(pyridin-4-yl)ethynyl]-3-{4-[2-(pyridin-4-yl)ethynyl]phenyl}-[1,1'-biphenyl]-2-carboximidamide
- N1,N2-Bis[(R)-α-methylbenzyl]-2,6-bis[4-(4-pyridylethynyl)phenyl]benzamidine
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