Chem
J-GLOBAL ID：200907065326692535   Nikkaji number：J2.594.531J

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

N,N′-ビス[3-[2-(ドデシルアミノ)-4-(ジオクチルアミノ)-1,3,5-トリアジン-6-イルアミノ]プロピル]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： C92H142N14O4
Molecular formula furigana： C92-H142-N14-O4
Molecular weight： 1508.242
InChI： InChI=1S/C92H142N14O4/c1-7-13-19-25-31-33-35-37-39-45-61-93-87-97-89(101-91(99-87)103(65-47-41-27-21-15-9-3)66-48-42-28-22-16-10-4)95-63-51-69-105-83(107)75-57-53-71-73-55-59-77-82-78(60-56-74(80(73)82)72-54-58-76(84(105)108)81(75)79(71)72)86(110)106(85(77)109)70-52-64-96-90-98-88(94-62-46-40-38-36-34-32-26-20-14-8-2)100-92(102-90)104(67-49-43-29-23-17-11-5)68-50-44-30-24-18-12-6/h53-60H,7-52,61-70H2,1-6H3,(H2,93,95,97,99,101)(H2,94,96,98,100,102)
InChI key： QZUVIDJQKICTEM-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCNc1nc(NCCCn2c(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)c2=O)c57)c(=O)n(CCCNc2nc(NCCCCCCCCCCCC)nc(n2)N(CCCCCCCC)CCCCCCCC)c6=O)nc(n1)N(CCCCCCCC)CCCCCCCC
Systematic name  (3)：
  • N,N′-ビス[3-[2-(ドデシルアミノ)-4-(ジオクチルアミノ)-1,3,5-トリアジン-6-イルアミノ]プロピル]ペリレン-3,4:9,10-ビス(ジカルボイミド)
  • 7,18-ビス(3-{[4-(ジオクチルアミノ)-6-(ドデシルアミノ)-1,3,5-トリアジン-2-イル]アミノ}プロピル)-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(3-{[4-(dioctylamino)-6-(dodecylamino)-1,3,5-triazin-2-yl]amino}propyl)-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[3-[2-(dodecylamino)-4-(dioctylamino)-1,3,5-triazine-6-ylamino]propyl]perylene-3,4:9,10-bis(dicarbimide)
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