Chem
J-GLOBAL ID：200907072196587455   Nikkaji number：J2.593.680I

1,3a,6,7,10-Pentakis(4-carboxybiphenyl-4′-yl)-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-10b-ide

1,3a,6,7,10-ペンタキス(4-カルボキシビフェニル-4′-イル)-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-10b-イド
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： C124[C-]H45O10
Molecular formula furigana： C125-H45-O10
Molecular weight： 1706.726
InChI： InChI=1S/C125H45O10/c126-116(127)51-11-1-41(2-12-51)46-21-31-56(32-22-46)121-101-91-81-71-66-61-62-64-65-63(61)68-75-73(66)83(81)93-95-85(75)87-77(68)79-70(65)80-78-69(64)76-74-67(62)72(71)82-84(74)94-96-86(76)88(78)98-100-90(80)89(79)99-97(87)107-105(95)122(103(93)101,57-33-23-47(24-34-57)42-3-13-52(14-4-42)117(128)129)112-111(121)113-115-114(112)124(107,59-37-27-49(28-38-59)44-7-17-54(18-8-44)119(132)133)109(99)110(100)125(115,60-39-29-50(30-40-60)45-9-19-55(20-10-45)120(134)135)108(98)106(96)123(113,104(94)102(121)92(82)91)58-35-25-48(26-36-58)43-5-15-53(16-6-43)118(130)131/h1-40H,(H,126,127)(H,128,129)(H,130,131)(H,132,133)(H,134,135)/q-1
InChI key： BBUSOWAMMYOUMJ-UHFFFAOYSA-N
SMILES： OC(=O)c1ccc(cc1)c1ccc(cc1)C12C3=C4[C-]5C6=C3C3(c7c2c2c8c1c1C4(c4c9c%10c%11c(c%12c%13c%14c(c3c3c7c7c2c2c%15c8c8c1c4c1c%10c4c%10c%11c%13c%11c%13c%14c3c3c7c2c2c7c%15c8c1c4c7c(c2c%133)c%10%11)C6%12c1ccc(cc1)c1ccc(cc1)C(=O)O)C59c1ccc(cc1)c1ccc(cc1)C(=O)O)c1ccc(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)-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-10b-イド
  • ペンタキス({4'-カルボキシ-[1,1'-ビフェニル]-4-イル})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(38),36,40,43,45,47,50,54-ヘプタコサエン-35-イド
  • pentakis({4'-carboxy-[1,1'-biphenyl]-4-yl})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(38),36,40,43,45,47,50,54-heptacosaen-35-ide
Other name (1)：
  • 1,3a,6,7,10-Pentakis(4-carboxybiphenyl-4′-yl)-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-10b-ide
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM