Chem
J-GLOBAL ID:200907027354477489   Nikkaji number:J1.901.439H

4,4′-(Cyclohexane-1α,2β-diyl)bis(3,5-dihydro-4H-dinaphtho[2,1-c:1′,2′-e]azepine)

4,4′-(シクロヘキサン-1α,2β-ジイル)ビス(3,5-ジヒドロ-4H-ジナフト[2,1-c:1′,2′-e]アゼピン)
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: C50H42N2
Molecular formula furigana: C50-H42-N2
Molecular weight: 670.900
InChI: InChI=1S/C50H42N2/c1-5-15-41-33(11-1)21-25-37-29-51(30-38-26-22-34-12-2-6-16-42(34)48(38)47(37)41)45-19-9-10-20-46(45)52-31-39-27-23-35-13-3-7-17-43(35)49(39)50-40(32-52)28-24-36-14-4-8-18-44(36)50/h1-8,11-18,21-28,45-46H,9-10,19-20,29-32H2/t45-,46-/m0/s1
InChI key: ZVPRFVPNPUSIQF-ZYBCLOSLSA-N
SMILES: C1CC[C@@H]([C@H](C1)N1Cc2ccc3ccccc3c2c2c(C1)ccc1ccccc21)N1Cc2ccc3ccccc3c2c2c(C1)ccc1ccccc21
Systematic name  (3):
  • 4,4′-(シクロヘキサン-1α,2β-ジイル)ビス(3,5-ジヒドロ-4H-ジナフト[2,1-c:1′,2′-e]アゼピン)
  • 13-[(1S,2S)-2-{13-アザペンタシクロ[13.8.0.02,11.03,8.018,23]トリコサ-1(23),2,4,6,8,10,15,17,19,21-デカエン-13-イル}シクロヘキシル]-13-アザペンタシクロ[13.8.0.02,11.03,8.018,23]トリコサ-1(23),2,4,6,8,10,15,17,19,21-デカエン
  • 13-[(1S,2S)-2-{13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaen-13-yl}cyclohexyl]-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaene
Other name (1):
  • 4,4′-(Cyclohexane-1α,2β-diyl)bis(3,5-dihydro-4H-dinaphtho[2,1-c:1′,2′-e]azepine)
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