Chem
J-GLOBAL ID：200907072690707633   Nikkaji number：J2.004.323G

1,3a,6,7,10-Pentakis[4-[4-(hexadecyloxy)benzoyloxy]phenyldimethylsilylmethyl]-1,3a,6,6b,7,10-hexahydro-1,1′,10,10′-(1,1,2,2-ethenetetryl)-1′′,6′,7′,10′′-(1,1,2,2-ethenetetryl)-6,6′′,7,7′′-(1,1,2,2-ethenetetryl)-4,3,3′,4′,3′′,4′′-(1,2,3,4,5,6-benzenehexyl)-5,5′′:8,8′′:8′,9′′:9,9′-tetrakiscyclo-2,2′:5′,2′′-terfluoranthene

1,3a,6,7,10-ペンタキス[4-[4-(ヘキサデシルオキシ)ベンゾイルオキシ]フェニルジメチルシリルメチル]-1,3a,6,6b,7,10-ヘキサヒドロ-1,1′,10,10′-(1,1,2,2-エテンテトライル)-1′′,6′,7′,10′′-(1,1,2,2-エテンテトライル)-6,6′′,7,7′′-(1,1,2,2-エテンテトライル)-4,3,3′,4′,3′′,4′′-(1,2,3,4,5,6-ベンゼンヘキサイル)-5,5′′:8,8′′:8′,9′′:9,9′-テトラキスシクロ-2,2′:5′,2′′-テルフルオランテン
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： C220H246O15Si5
Molecular formula furigana： C220-H246-O15-SI5
Molecular weight： 3270.798
InChI： InChI=1S/C220H246O15Si5/c1-16-21-26-31-36-41-46-51-56-61-66-71-76-81-126-226-141-96-86-136(87-97-141)211(221)231-146-106-116-151(117-107-146)236(6,7)131-216-196-186-176-166-161-156-157-159-160-158(156)163-170-168(161)178(176)188-190-180(170)182-172(163)174-165(160)175-173-164(159)171-169-162(157)167(166)177-179(169)189-191-181(171)183(173)193-195-185(175)184(174)194-192(182)202-200(190)217(198(188)196,132-237(8,9)152-118-108-147(109-119-152)232-212(222)137-88-98-142(99-89-137)227-127-82-77-72-67-62-57-52-47-42-37-32-27-22-17-2)207-206(216)208-210-209(207)219(202,134-239(12,13)154-122-112-149(113-123-154)234-214(224)139-92-102-144(103-93-139)229-129-84-79-74-69-64-59-54-49-44-39-34-29-24-19-4)204(194)205(195)220(210,135-240(14,15)155-124-114-150(115-125-155)235-215(225)140-94-104-145(105-95-140)230-130-85-80-75-70-65-60-55-50-45-40-35-30-25-20-5)203(193)201(191)218(208,199(189)197(216)187(177)186)133-238(10,11)153-120-110-148(111-121-153)233-213(223)138-90-100-143(101-91-138)228-128-83-78-73-68-63-58-53-48-43-38-33-28-23-18-3/h86-125,206H,16-85,126-135H2,1-15H3
InChI key： BDLJEEGJPHKIAC-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)[Si](C)(C)CC12C3C4=C5C6=C3C3(C[Si](C)(C)c7ccc(OC(=O)c8ccc(OCCCCCCCCCCCCCCCC)cc8)cc7)c7c1c1c8c2c2c9c%10c(c%11c%12c%13c(c%14c%15c%16c(c3c3c7c7c1c1c%17c8c9c8c9c%10c%12c%10c%12c%13c%15c%13c%15c%16c3c3c7c1c1c(c%178)c(c9%10)c(c%12%13)c1c%153)C6%14C[Si](C)(C)c1ccc(OC(=O)c3ccc(OCCCCCCCCCCCCCCCC)cc3)cc1)C5%11C[Si](C)(C)c1ccc(OC(=O)c3ccc(OCCCCCCCCCCCCCCCC)cc3)cc1)C42C[Si](C)(C)c1ccc(OC(=O)c2ccc(OCCCCCCCCCCCCCCCC)cc2)cc1
Systematic name  (3)：
  • 1,3a,6,7,10-ペンタキス[4-[4-(ヘキサデシルオキシ)ベンゾイルオキシ]フェニルジメチルシリルメチル]-1,3a,6,6b,7,10-ヘキサヒドロ-1,1′,10,10′-(1,1,2,2-エテンテトライル)-1′′,6′,7′,10′′-(1,1,2,2-エテンテトライル)-6,6′′,7,7′′-(1,1,2,2-エテンテトライル)-4,3,3′,4′,3′′,4′′-(1,2,3,4,5,6-ベンゼンヘキサイル)-5,5′′:8,8′′:8′,9′′:9,9′-テトラキスシクロ-2,2′:5′,2′′-テルフルオランテン
  • 4-[ジメチル({26,33,49,52-テトラキス[({4-[4-(ヘキサデシルオキシ)ベンゾイルオキシ]フェニル}ジメチルシリル)メチル]ヘントリアコンタシクロ[13.5.38.24,7.02,23.03,29.05,30.06,43.08,44.09,17.010,46.011,16.012,48.013,50.014,56.019,58.021,57.022,54.024,28.025,53.026,35.027,32.031,42.033,41.034,38.036,52.037,49.039,47.040,45.051,55.018,59.020,60]ヘキサコンタ-1(20),2,4(60),5,7(59),8,10,12,14(56),15,17,19(58),21(57),22,24(28),25(53),27(32),29,31(42),34,36,40,43,45,47,50,54-ヘプタコサエン-39-イル}メチル)シリル]フェニル 4-(ヘキサデシルオキシ)ベンゾアート
  • 4-[dimethyl({26,33,49,52-tetrakis[({4-[4-(hexadecyloxy)benzoyloxy]phenyl}dimethylsilyl)methyl]hentriacontacyclo[13.5.38.24,7.02,23.03,29.05,30.06,43.08,44.09,17.010,46.011,16.012,48.013,50.014,56.019,58.021,57.022,54.024,28.025,53.026,35.027,32.031,42.033,41.034,38.036,52.037,49.039,47.040,45.051,55.018,59.020,60]hexaconta-1(20),2,4(60),5,7(59),8,10,12,14(56),15,17,19(58),21(57),22,24(28),25(53),27(32),29,31(42),34,36,40,43,45,47,50,54-heptacosaen-39-yl}methyl)silyl]phenyl 4-(hexadecyloxy)benzoate
Other name (1)：
  • 1,3a,6,7,10-Pentakis[4-[4-(hexadecyloxy)benzoyloxy]phenyldimethylsilylmethyl]-1,3a,6,6b,7,10-hexahydro-1,1′,10,10′-(1,1,2,2-ethenetetryl)-1′′,6′,7′,10′′-(1,1,2,2-ethenetetryl)-6,6′′,7,7′′-(1,1,2,2-ethenetetryl)-4,3,3′,4′,3′′,4′′-(1,2,3,4,5,6-benzenehexyl)-5,5′′:8,8′′:8′,9′′:9,9′-tetrakiscyclo-2,2′:5′,2′′-terfluoranthene
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