Chem
J-GLOBAL ID：200907057734423035   Nikkaji number：J2.593.677I

1,3a,6,7,10-Pentakis(4-carboxybiphenyl-4′-yl)-10b-methyl-1,3a,6,7,10,10b-hexahydro-1,1′,10,10′-(1,1,2,2-ethenetetrayl)-1′′,6′,7′,10′′-(1,1,2,2-ethenetetrayl)-6,6′′,7,7′′-(1,1,2,2-ethenetetrayl)-4,3,3′,4′,3′′,4′′-(1,2,3,4,5,6-benzenehexayl)-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-カルボキシビフェニル-4′-イル)-10b-メチル-1,3a,6,7,10,10b-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： C126H48O10
Molecular formula furigana： C126-H48-O10
Molecular weight： 1721.760
InChI： InChI=1S/C126H48O10/c1-121-114-112-113-115(121)125(60-38-28-50(29-39-60)45-8-18-55(19-9-45)119(133)134)107-97-87-77-69-64-62-63-65-66(64)71-79(77)89-91-81(71)80-70(65)78-76-68(63)74-72-67(62)73-75(69)85(87)95-93-83(73)82(72)92-94-84(74)86(76)96-98-88(78)90(80)100-101(91)111(109(125)99(89)97)126(121,61-40-30-51(31-41-61)46-10-20-56(21-11-46)120(135)136)110(100)108(98)124(114,59-36-26-49(27-37-59)44-6-16-54(17-7-44)118(131)132)106(96)104(94)122(112,57-32-22-47(23-33-57)42-2-12-52(13-3-42)116(127)128)102(92)103(93)123(113,105(95)107)58-34-24-48(25-35-58)43-4-14-53(15-5-43)117(129)130/h2-41H,1H3,(H,127,128)(H,129,130)(H,131,132)(H,133,134)(H,135,136)
InChI key： XTLOTPMGLRYVGL-UHFFFAOYSA-N
SMILES： CC12C3=C4C5=C1C1(c6c7c8c9c(c%10c%11c%12c(c%13c%14c%15c(c%16c%17c%18c(c1c1c6c6c8c8c%19c9c%11c9c%11c%12c%14c%12c%14c%15c%17c%15c%17c%18c1c1c6c8c6c(c%199)c(c%11%12)c(c%14%15)c6c%171)C2%16c1ccc(cc1)c1ccc(cc1)C(=O)O)C3%13c1ccc(cc1)c1ccc(cc1)C(=O)O)C4%10c1ccc(cc1)c1ccc(cc1)C(=O)O)C57c1ccc(cc1)c1ccc(cc1)C(=O)O)c1ccc(cc1)c1ccc(cc1)C(=O)O
Systematic name  (3)：
  • 1,3a,6,7,10-ペンタキス(4-カルボキシビフェニル-4′-イル)-10b-メチル-1,3a,6,7,10,10b-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'-[7,13,34,45-テトラキス({4'-カルボキシ-[1,1'-ビフェニル]-4-イル})-9-メチルヘントリアコンタシクロ[14.10.34.02,23.03,29.04,22.05,19.06,30.07,18.08,12.09,31.010,34.011,45.013,17.014,46.015,49.020,60.021,58.024,57.025,55.026,39.027,38.028,32.033,37.035,44.036,41.040,54.042,53.043,47.048,52.050,59.051,56]ヘキサコンタ-1,3,5(19),6(30),8(12),10,14(46),15,17,20(60),21,23,25,27(38),28,32,35(44),36,39,41,43(47),48,50(59),51(56),52,54,57-ヘプタコサエン-31-イル]-[1,1'-ビフェニル]-4-カルボン酸
  • 4'-[7,13,34,45-tetrakis({4'-carboxy-[1,1'-biphenyl]-4-yl})-9-methylhentriacontacyclo[14.10.34.02,23.03,29.04,22.05,19.06,30.07,18.08,12.09,31.010,34.011,45.013,17.014,46.015,49.020,60.021,58.024,57.025,55.026,39.027,38.028,32.033,37.035,44.036,41.040,54.042,53.043,47.048,52.050,59.051,56]hexaconta-1,3,5(19),6(30),8(12),10,14(46),15,17,20(60),21,23,25,27(38),28,32,35(44),36,39,41,43(47),48,50(59),51(56),52,54,57-heptacosaen-31-yl]-[1,1'-biphenyl]-4-carboxylic acid
Other name (1)：
  • 1,3a,6,7,10-Pentakis(4-carboxybiphenyl-4′-yl)-10b-methyl-1,3a,6,7,10,10b-hexahydro-1,1′,10,10′-(1,1,2,2-ethenetetrayl)-1′′,6′,7′,10′′-(1,1,2,2-ethenetetrayl)-6,6′′,7,7′′-(1,1,2,2-ethenetetrayl)-4,3,3′,4′,3′′,4′′-(1,2,3,4,5,6-benzenehexayl)-5,5′′:8,8′′:8′,9′′:9,9′-tetrakiscyclo-2,2′:5′,2′′-terfluoranthene
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