Chem
J-GLOBAL ID:200907051340545480   Nikkaji number:J2.401.053H

7-(1-Methylheptyl)-7′-(2-ethylhexyl)-2,2′-bi[benzo[lmn][3,8]phenanthroline]-1,1′,3,3′,6,6′,8,8′(2H,2′H,7H,7′H)-octaone

7-(1-メチルヘプチル)-7′-(2-エチルヘキシル)-2,2′-ビ[ベンゾ[lmn][3,8]フェナントロリン]-1,1′,3,3′,6,6′,8,8′(2H,2′H,7H,7′H)-オクタオン
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: C44H42N4O8
Molecular formula furigana: C44-H42-N4-O8
Molecular weight: 754.840
InChI: InChI=1S/C44H42N4O8/c1-5-8-10-11-12-23(4)46-39(51)27-16-20-31-36-32(21-17-28(34(27)36)40(46)52)44(56)48(43(31)55)47-41(53)29-18-14-25-33-26(15-19-30(35(29)33)42(47)54)38(50)45(37(25)49)22-24(7-3)13-9-6-2/h14-21,23-24H,5-13,22H2,1-4H3
InChI key: LSURZJOQVVWVQZ-UHFFFAOYSA-N
SMILES: CCCCCCC(C)n1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(n1c(=O)c2ccc4c5c(ccc(c25)c1=O)c(=O)n(CC(CC)CCCC)c4=O)c3=O
Systematic name  (3):
  • 7-(1-メチルヘプチル)-7′-(2-エチルヘキシル)-2,2′-ビ[ベンゾ[lmn][3,8]フェナントロリン]-1,1′,3,3′,6,6′,8,8′(2H,2′H,7H,7′H)-オクタオン
  • 6-[13-(2-エチルヘキシル)-5,7,12,14-テトラオキソ-6,13-ジアザテトラシクロ[6.6.2.04,16.011,15]ヘキサデカ-1,3,8,10,15-ペンタエン-6-イル]-13-(オクタン-2-イル)-6,13-ジアザテトラシクロ[6.6.2.04,16.011,15]ヘキサデカ-1,3,8,10,15-ペンタエン-5,7,12,14-テトラオン
  • 6-[13-(2-ethylhexyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaen-6-yl]-13-(octan-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
Other name (1):
  • 7-(1-Methylheptyl)-7′-(2-ethylhexyl)-2,2′-bi[benzo[lmn][3,8]phenanthroline]-1,1′,3,3′,6,6′,8,8′(2H,2′H,7H,7′H)-octaone
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