Chem
J-GLOBAL ID：200907001705831420   Nikkaji number：J1.940.886H

α,α′-(3,4-Dihydrodibenzo[c,g]phenanthrene-3β,4α-diyl)bis[4,4′-bis(dimethylamino)benzhydrylcation]

α,α′-(3,4-ジヒドロジベンゾ[c,g]フェナントレン-3β,4α-ジイル)ビス[4,4′-ビス(ジメチルアミノ)ベンズヒドリルカチオン]
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： C54[C+]2H54N4
Molecular formula furigana： C56-H54-N4
Molecular weight： 783.075
InChI： InChI=1S/C56H54N4/c1-57(2)43-27-17-39(18-28-43)51(40-19-29-44(30-20-40)58(3)4)55-49-35-25-37-13-9-11-15-47(37)53(49)54-48-16-12-10-14-38(48)26-36-50(54)56(55)52(41-21-31-45(32-22-41)59(5)6)42-23-33-46(34-24-42)60(7)8/h9-36,55-56H,1-8H3/q+2/t55-,56-/m0/s1
InChI key： PQJOCEPERCMVDQ-ATMVKLMESA-N
SMILES： CN(C)c1ccc(cc1)[C+]([C@H]1[C@H]([C+](c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)c2ccc3ccccc3c2c2c1ccc1ccccc21)c1ccc(cc1)N(C)C
Systematic name  (3)：
  • α,α′-(3,4-ジヒドロジベンゾ[c,g]フェナントレン-3β,4α-ジイル)ビス[4,4′-ビス(ジメチルアミノ)ベンズヒドリルカチオン]
  • [(12S,13S)-13-{ビス[4-(ジメチルアミノ)フェニル]メチリウミル}ペンタシクロ[12.8.0.02,11.03,8.017,22]ドコサ-1(22),2,4,6,8,10,14,16,18,20-デカエン-12-イル]ビス[4-(ジメチルアミノ)フェニル]メチリウム
  • [(12S,13S)-13-{bis[4-(dimethylamino)phenyl]methyliumyl}pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(22),2,4,6,8,10,14,16,18,20-decaen-12-yl]bis[4-(dimethylamino)phenyl]methylium
Other name (1)：
  • α,α′-(3,4-Dihydrodibenzo[c,g]phenanthrene-3β,4α-diyl)bis[4,4′-bis(dimethylamino)benzhydrylcation]
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