Chem
J-GLOBAL ID:200907027569865528   Nikkaji number:J2.180.349I

2,3:6,7:10,11-Tris[1-(3-menthylureido)bicyclo[3.3.1]nonane-9,9-diylbis(oxy)]triphenylene

2,3:6,7:10,11-トリス[1-(3-メンチルウレイド)ビシクロ[3.3.1]ノナン-9,9-ジイルビス(オキシ)]トリフェニレン
Substance type:
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
Molecular formula: C78H108N6O9
Molecular formula furigana: C78-H108-N6-O9
Molecular weight: 1273.755
InChI: InChI=1S/C78H108N6O9/c1-43(2)52-25-22-46(7)34-61(52)79-70(85)82-73-28-10-16-49(17-11-29-73)76(73)88-64-37-55-56(38-65(64)89-76)58-40-67-69(93-78(91-67)51-20-14-32-75(78,33-15-21-51)84-72(87)81-63-36-48(9)24-27-54(63)45(5)6)42-60(58)59-41-68-66(39-57(55)59)90-77(92-68)50-18-12-30-74(77,31-13-19-50)83-71(86)80-62-35-47(8)23-26-53(62)44(3)4/h37-54,61-63H,10-36H2,1-9H3,(H2,79,82,85)(H2,80,83,86)(H2,81,84,87)
InChI key: DNMKXBQZYXSOKM-UHFFFAOYSA-N
SMILES: CC(C)C1CCC(C)CC1NC(=O)NC12CCCC(CCC1)C12Oc2cc3c(cc2O1)c1cc2OC4(Oc2cc1c1cc2OC5(Oc2cc31)C1CCCC5(CCC1)NC(=O)NC1CC(C)CCC1C(C)C)C1CCCC4(CCC1)NC(=O)NC1CC(C)CCC1C(C)C
Systematic name  (4):
  • 2,3:6,7:10,11-トリス[[1-[3-(2-イソプロピル-5-メチルシクロヘキシル)ウレイド]ビシクロ[3.3.1]ノナン-9-イリデン]ビスオキシ]トリフェニレン
  • 2,3:6,7:10,11-トリス[1-(3-メンチルウレイド)ビシクロ[3.3.1]ノナン-9,9-ジイルビス(オキシ)]トリフェニレン
  • 3-[1'',1'''-ビス({[5-メチル-2-(プロパン-2-イル)シクロヘキシル]カルバモイル}アミノ)トリスピロ[5,7,14,16,23,25-ヘキサオキサヘプタシクロ[18.7.0.02,10.04,8.011,19.013,17.022,26]ヘプタコサン-6,9':15,9'':24,9'''-トリス(ビシクロ[3.3.1]ノナン)]-1(27),2,4(8),9,11,13(17),18,20,22(26)-ノナエン-1'-イル]-1-[5-メチル-2-(プロパン-2-イル)シクロヘキシル]尿素
  • 3-[1'',1'''-bis({[5-methyl-2-(propan-2-yl)cyclohexyl]carbamoyl}amino)trispiro[5,7,14,16,23,25-hexaoxaheptacyclo[18.7.0.02,10.04,8.011,19.013,17.022,26]heptacosane-6,9':15,9'':24,9'''-tris(bicyclo[3.3.1]nonane)]-1(27),2,4(8),9,11,13(17),18,20,22(26)-nonaen-1'-yl]-1-[5-methyl-2-(propan-2-yl)cyclohexyl]urea
Other name (2):
  • 2,3:6,7:10,11-Tris[[1-[3-(2-isopropyl-5-methylcyclohexyl)ureido]bicyclo[3.3.1]nonane-9-ylidene]bisoxy]triphenylene
  • 2,3:6,7:10,11-Tris[1-(3-menthylureido)bicyclo[3.3.1]nonane-9,9-diylbis(oxy)]triphenylene
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