Chem
J-GLOBAL ID：200907099138585103   Nikkaji number：J2.594.532H

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

N,N′-ビス[3-[2-(2-エチルヘキシルアミノ)-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： C84H126N14O4
Molecular formula furigana： C84-H126-N14-O4
Molecular weight： 1396.026
InChI： InChI=1S/C84H126N14O4/c1-9-17-23-27-31-35-53-95(54-36-32-28-24-18-10-2)83-91-79(89-81(93-83)87-59-61(15-7)41-21-13-5)85-51-39-57-97-75(99)67-47-43-63-65-45-49-69-74-70(50-46-66(72(65)74)64-44-48-68(76(97)100)73(67)71(63)64)78(102)98(77(69)101)58-40-52-86-80-90-82(88-60-62(16-8)42-22-14-6)94-84(92-80)96(55-37-33-29-25-19-11-3)56-38-34-30-26-20-12-4/h43-50,61-62H,9-42,51-60H2,1-8H3,(H2,85,87,89,91,93)(H2,86,88,90,92,94)
InChI key： KPAGOYMJPFGSPR-UHFFFAOYSA-N
SMILES： CCCCCCCCN(CCCCCCCC)c1nc(NCCCn2c(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)c2=O)c57)c(=O)n(CCCNc2nc(NCC(CC)CCCC)nc(n2)N(CCCCCCCC)CCCCCCCC)c6=O)nc(NCC(CC)CCCC)n1
Systematic name  (3)：
  • N,N′-ビス[3-[2-(2-エチルヘキシルアミノ)-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-[(2-エチルヘキシル)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-[(2-ethylhexyl)amino]-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-(2-ethylhexylamino)-4-(dioctylamino)-1,3,5-triazine-6-ylamino]propyl]perylene-3,4:9,10-bis(dicarbimide)
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