Chem
J-GLOBAL ID：200907024250927807   Nikkaji number：J2.592.393F

N,N′-Bis[2-[4-[3,4,5-tris(dodecyloxy)anilino]-6-(dioctylamino)1,3,5-triazine-2-ylamino]ethyl]perylene-3,4:9,10-bis(dicarbimide)

N,N′-ビス[2-[4-[3,4,5-トリス(ドデシルオキシ)アニリノ]-6-(ジオクチルアミノ)1,3,5-トリアジン-2-イルアミノ]エチル]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： C150H242N14O10
Molecular formula furigana： C150-H242-N14-O10
Molecular weight： 2401.674
InChI： InChI=1S/C150H242N14O10/c1-11-21-31-41-51-57-63-69-79-89-111-169-131-117-121(118-132(170-112-90-80-70-64-58-52-42-32-22-12-2)139(131)173-115-93-83-73-67-61-55-45-35-25-15-5)153-147-155-145(157-149(159-147)161(105-85-75-47-37-27-17-7)106-86-76-48-38-28-18-8)151-103-109-163-141(165)127-99-95-123-125-97-101-129-138-130(102-98-126(136(125)138)124-96-100-128(142(163)166)137(127)135(123)124)144(168)164(143(129)167)110-104-152-146-156-148(160-150(158-146)162(107-87-77-49-39-29-19-9)108-88-78-50-40-30-20-10)154-122-119-133(171-113-91-81-71-65-59-53-43-33-23-13-3)140(174-116-94-84-74-68-62-56-46-36-26-16-6)134(120-122)172-114-92-82-72-66-60-54-44-34-24-14-4/h95-102,117-120H,11-94,103-116H2,1-10H3,(H2,151,153,155,157,159)(H2,152,154,156,158,160)
InChI key： OKOOPKPCNQDTJC-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCOc1cc(Nc2nc(NCCn3c(=O)c4ccc5c6ccc7c8c(ccc(c9ccc(c4c59)c3=O)c68)c(=O)n(CCNc3nc(Nc4cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c4)nc(n3)N(CCCCCCCC)CCCCCCCC)c7=O)nc(n2)N(CCCCCCCC)CCCCCCCC)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC
Systematic name  (3)：
  • N,N′-ビス[2-[4-[3,4,5-トリス(ドデシルオキシ)アニリノ]-6-(ジオクチルアミノ)1,3,5-トリアジン-2-イルアミノ]エチル]ペリレン-3,4:9,10-ビス(ジカルボイミド)
  • 7,18-ビス(2-{[4-(ジオクチルアミノ)-6-{[3,4,5-トリス(ドデシルオキシ)フェニル]アミノ}-1,3,5-トリアジン-2-イル]アミノ}エチル)-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(2-{[4-(dioctylamino)-6-{[3,4,5-tris(dodecyloxy)phenyl]amino}-1,3,5-triazin-2-yl]amino}ethyl)-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)：
  • N,N′-Bis[2-[4-[3,4,5-tris(dodecyloxy)anilino]-6-(dioctylamino)1,3,5-triazine-2-ylamino]ethyl]perylene-3,4:9,10-bis(dicarbimide)
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