Chem
J-GLOBAL ID:201807004011327988   Nikkaji number:J3.726.744I

1,1′-[[2,2′-Dimethyl-3,3′-(hexafluorocyclopentane-1,2-diylidene)-2,2′,3,3′-tetrahydro-2,2′-bithiophene-5,5′-diyl]-p-phenylene]bis[3-[3,4,5-tris(dodecyloxy)phenyl]urea]

1,1′-[[2,2′-ジメチル-3,3′-(ヘキサフルオロシクロペンタン-1,2-ジイリデン)-2,2′,3,3′-テトラヒドロ-2,2′-ビチオフェン-5,5′-ジイル]-p-フェニレン]ビス[3-[3,4,5-トリス(ドデシルオキシ)フェニル]尿素]
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: C107H170F6N4O8S2
Molecular formula furigana: C107-H170-F6-N4-O8-S2
Molecular weight: 1818.670
InChI: InChI=1S/C107H170F6N4O8S2/c1-9-15-21-27-33-39-45-51-57-63-73-120-91-79-87(80-92(121-74-64-58-52-46-40-34-28-22-16-10-2)99(91)124-77-67-61-55-49-43-37-31-25-19-13-5)115-101(118)114-86-71-69-85(70-72-86)95-83-89-97-98(106(110,111)107(112,113)105(97,108)109)90-84-96(127-104(90,8)103(89,7)126-95)117-102(119)116-88-81-93(122-75-65-59-53-47-41-35-29-23-17-11-3)100(125-78-68-62-56-50-44-38-32-26-20-14-6)94(82-88)123-76-66-60-54-48-42-36-30-24-18-12-4/h69-72,79-84H,9-68,73-78H2,1-8H3,(H2,114,115,118)(H2,116,117,119)
InChI key: FGOQUNAKBUEUDE-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCOc1cc(NC(=O)NC2=CC3=C4C(=C5C=C(SC5(C)C3(C)S2)c2ccc(NC(=O)Nc3cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c3)cc2)C(F)(F)C(F)(F)C4(F)F)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC
Systematic name  (3):
  • 1,1′-[[2,2′-ジメチル-3,3′-(ヘキサフルオロシクロペンタン-1,2-ジイリデン)-2,2′,3,3′-テトラヒドロ-2,2′-ビチオフェン-5,5′-ジイル]-p-フェニレン]ビス[3-[3,4,5-トリス(ドデシルオキシ)フェニル]尿素]
  • 3-{8,8,9,9,10,10-ヘキサフルオロ-1,2-ジメチル-14-[4-({[3,4,5-トリス(ドデシルオキシ)フェニル]カルバモイル}アミノ)フェニル]-3,15-ジチアテトラシクロ[10.3.0.02,6.07,11]ペンタデカ-4,6,11,13-テトラエン-4-イル}-1-[3,4,5-トリス(ドデシルオキシ)フェニル]尿素
  • 3-{8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-[4-({[3,4,5-tris(dodecyloxy)phenyl]carbamoyl}amino)phenyl]-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl}-1-[3,4,5-tris(dodecyloxy)phenyl]urea
Other name (1):
  • 1,1′-[[2,2′-Dimethyl-3,3′-(hexafluorocyclopentane-1,2-diylidene)-2,2′,3,3′-tetrahydro-2,2′-bithiophene-5,5′-diyl]-p-phenylene]bis[3-[3,4,5-tris(dodecyloxy)phenyl]urea]
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