Chem
J-GLOBAL ID:200907026036330685   Nikkaji number:J1.745.556G

(1R,2R)-N,N,N′,N′-[Biphenyl-4,4′-diylbis[methylidynenitrilo[(1R,2R)-cyclohexane-1,2-diyl]nitrilomethylidyne(biphenyl-4,4′-diyl)methylidyne]]-1,2-cyclohexanediamine

(1R,2R)-N,N,N′,N′-[ビフェニル-4,4′-ジイルビス[メチリジンニトリロ[(1R,2R)-シクロヘキサン-1,2-ジイル]ニトリロメチリジン(ビフェニル-4,4′-ジイル)メチリジン]]-1,2-シクロヘキサンジアミン
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: C60H60N6
Molecular formula furigana: C60-H60-N6
Molecular weight: 865.182
InChI: InChI=1S/C60H60N6/c1-3-9-55-53(7-1)61-37-41-13-21-45(22-14-41)46-23-15-42(16-24-46)38-62-54-8-2-4-10-56(54)64-40-44-19-27-48(28-20-44)50-31-35-52(36-32-50)60-65-57-11-5-6-12-58(57)66(60)59(65)51-33-29-49(30-34-51)47-25-17-43(18-26-47)39-63-55/h13-40,53-60H,1-12H2/t53-,54-,55-,56-,57-,58-,59?,60?/m1/s1
InChI key: MBPVTAUNDKPYKX-LLFRBLNLSA-N
SMILES: C1CC[C@@H]2[C@@H](C1)N1C3N2C1c1ccc(cc1)c1ccc(cc1)C=N[C@@H]1CCCC[C@H]1N=Cc1ccc(cc1)c1ccc(cc1)C=N[C@@H]1CCCC[C@H]1N=Cc1ccc(cc1)c1ccc3cc1
Systematic name  (3):
  • (1R,2R)-N,N,N′,N′-[ビフェニル-4,4′-ジイルビス[メチリジンニトリロ[(1R,2R)-シクロヘキサン-1,2-ジイル]ニトリロメチリジン(ビフェニル-4,4′-ジイル)メチリジン]]-1,2-シクロヘキサンジアミン
  • (4R,9R,22R,27R,40R,45R)-3,10,21,28,39,46-ヘキサアザドデカシクロ[50.2.2.212,15.216,19.230,33.234,37.248,51.02,10.03,11.04,9.022,27.040,45]ヘキサヘキサコンタ-1(54),12,14,16,18,20,28,30,32,34,36,38,46,48,50,52,55,57,59,61,63,65-ドコサエン
  • (4R,9R,22R,27R,40R,45R)-3,10,21,28,39,46-hexaazadodecacyclo[50.2.2.212,15.216,19.230,33.234,37.248,51.02,10.03,11.04,9.022,27.040,45]hexahexaconta-1(54),12,14,16,18,20,28,30,32,34,36,38,46,48,50,52,55,57,59,61,63,65-docosaene
Other name (1):
  • (1R,2R)-N,N,N′,N′-[Biphenyl-4,4′-diylbis[methylidynenitrilo[(1R,2R)-cyclohexane-1,2-diyl]nitrilomethylidyne(biphenyl-4,4′-diyl)methylidyne]]-1,2-cyclohexanediamine
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