Chem
J-GLOBAL ID：200907004558260454   Nikkaji number：J1.996.931B

3,3′-Bis[4-(3-aminophenoxy)phenyl]-1,1′-biadamantane

3,3′-ビス[4-(3-アミノフェノキシ)フェニル]-1,1′-ビアダマンタン
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： C44H48N2O2
Molecular formula furigana： C44-H48-N2-O2
Molecular weight： 636.880
InChI： InChI=1S/C44H48N2O2/c45-35-3-1-5-39(17-35)47-37-11-7-33(8-12-37)41-19-29-15-30(20-41)24-43(23-29,27-41)44-25-31-16-32(26-44)22-42(21-31,28-44)34-9-13-38(14-10-34)48-40-6-2-4-36(46)18-40/h1-14,17-18,29-32H,15-16,19-28,45-46H2/t29-,30+,31-,32+,41?,42?,43?,44?
InChI key： QSWMFQOGEXCEES-FCOYBBTESA-N
SMILES： Nc1cccc(Oc2ccc(cc2)C23C[C@@H]4C[C@H](C2)CC(C4)(C3)C23C[C@H]4C[C@H](CC(C4)(C2)c2ccc(Oc4cccc(N)c4)cc2)C3)c1
Systematic name  (3)：
  • 3,3′-ビス[4-(3-アミノフェノキシ)フェニル]-1,1′-ビアダマンタン
  • 3-{4-[(5R,5'R,7S,7'S)-3'-[4-(3-アミノフェノキシ)フェニル]-[1,1'-ビアダマンタン]-3-イル]フェノキシ}アニリン
  • 3-{4-[(5R,5'R,7S,7'S)-3'-[4-(3-aminophenoxy)phenyl]-[1,1'-biadamantan]-3-yl]phenoxy}aniline
Other name (1)：
  • 3,3′-Bis[4-(3-aminophenoxy)phenyl]-1,1′-biadamantane
Thsaurus map：
Thesaurus Map

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