Chem
J-GLOBAL ID：201407048056049137   Nikkaji number：J3.227.133B

1,1′-Ethynylenebis[N,N′-bis(1-ethylpropyl)-7-(3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaoxatritetracontane-1-yloxy)perylene-3,4:9,10-bis(dicarbimide)]

1,1′-エチニレンビス[N,N′-ビス(1-エチルプロピル)-7-(3,6,9,12,15,18,21,24,27,30,33,36,39,42-テトラデカオキサトリテトラコンタン-1-イルオキシ)ペリレン-3,4:9,10-ビス(ジカルボイミド)]
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： C128H174N4O38
Molecular formula furigana： C128-H174-N4-O38
Molecular weight： 2376.790
InChI： InChI=1S/C128H174N4O38/c1-11-91(12-2)129-121(133)99-27-23-97-115-107(169-83-81-167-79-77-165-75-73-163-71-69-161-67-65-159-63-61-157-59-57-155-55-53-153-51-49-151-47-45-149-43-41-147-39-37-145-35-33-143-31-29-141-9)87-105-113-101(123(135)131(127(105)139)93(15-5)16-6)25-21-95(119(113)115)109-89(85-103(125(129)137)111(99)117(97)109)19-20-90-86-104-112-100(122(134)130(126(104)138)92(13-3)14-4)28-24-98-116-108(88-106-114-102(26-22-96(120(114)116)110(90)118(98)112)124(136)132(128(106)140)94(17-7)18-8)170-84-82-168-80-78-166-76-74-164-72-70-162-68-66-160-64-62-158-60-58-156-56-54-154-52-50-152-48-46-150-44-42-148-40-38-146-36-34-144-32-30-142-10/h21-28,85-88,91-94H,11-18,29-84H2,1-10H3
InChI key： NBWBPTBDOVRNRP-UHFFFAOYSA-N
SMILES： CCC(CC)n1c(=O)c2ccc3c4c(cc5c6c(ccc(c7c(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc(c2c37)c1=O)c46)c(=O)n(C(CC)CC)c5=O)C#Cc1cc2c3c(ccc4c5c(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc6c7c(ccc(c1c34)c57)c(=O)n(C(CC)CC)c6=O)c(=O)n(C(CC)CC)c2=O
Systematic name  (3)：
  • 1,1′-エチニレンビス[N,N′-ビス(1-エチルプロピル)-7-(3,6,9,12,15,18,21,24,27,30,33,36,39,42-テトラデカオキサトリテトラコンタン-1-イルオキシ)ペリレン-3,4:9,10-ビス(ジカルボイミド)]
  • 7,18-ビス(ペンタン-3-イル)-11-(2,5,8,11,14,17,20,23,26,29,32,35,38,41-テトラデカオキサトリテトラコンタン-43-イルオキシ)-22-{2-[6,8,17,19-テトラオキソ-7,18-ビス(ペンタン-3-イル)-22-(2,5,8,11,14,17,20,23,26,29,32,35,38,41-テトラデカオキサトリテトラコンタン-43-イルオキシ)-7,18-ジアザヘプタシクロ[14.6.2.22,5.03,12.04,9.013,23.020,24]ヘキサコサ-1(22),2(26),3,5(25),9,11,13,15,20,23-デカエン-11-イル]エチニル}-7,18-ジアザヘプタシクロ[14.6.2.22,5.03,12.04,9.013,23.020,24]ヘキサコサ-1(22),2(26),3,5(25),9,11,13,15,20,23-デカエン-6,8,17,19-テトラオン
  • 7,18-bis(pentan-3-yl)-11-(2,5,8,11,14,17,20,23,26,29,32,35,38,41-tetradecaoxatritetracontan-43-yloxy)-22-{2-[6,8,17,19-tetraoxo-7,18-bis(pentan-3-yl)-22-(2,5,8,11,14,17,20,23,26,29,32,35,38,41-tetradecaoxatritetracontan-43-yloxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]ethynyl}-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
Other name (1)：
  • 1,1′-Ethynylenebis[N,N′-bis(1-ethylpropyl)-7-(3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaoxatritetracontane-1-yloxy)perylene-3,4:9,10-bis(dicarbimide)]
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