13-[2-(13-Azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)cyclohexyl]-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
Grundinformationen
- CAS
524941-64-8- Standard-SMILES
c1ccc2c3c(ccc2c1)CN(C1CCCCC1N1Cc2ccc4ccccc4c2-c2c(ccc4ccccc24)C1)Cc1ccc2ccccc2c1-3- InChIKey
ZVPRFVPNPUSIQF-UHFFFAOYSA-N- Summenformel
- C50H42N2
- Durchschnittliche Molmasse
- 670,9 g/mol
Namen und Bezeichner
- Bevorzugter Name
- 13-[2-(13-Azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)cyclohexyl]-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
- IUPAC
- 13-[2-(13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)cyclohexyl]-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
- Englischer Name
- (11bR,11'bR)-4,4'-(1S,2S)-1,2-cyclohexanediylbis[4,5-dihydro-H-Dinaphth[2,1-c:1',2'-e]azepine
- Summenformel
- C50H42N2
- Molmasse
- 670.88
Namen und Synonyme
3H-Dinaphth[2,1-c:1',2'-e]azepine, 4,4'-(1R,2R)-1,2-cyclohexanediylbis[4,5-dihydro-, (11bR,11'bR)-(1S,2S)-1,2-bis(3,5-dihydro-4H-dinaphtho[2,1-c:1',2'-e]azepin-4-yl)cyclohexane(11BR,11'bR)-(1S,2S)-1,2-bis(3,5-dihydro-4H-dinaphtho[2,1-c:1',2'-e]azepin-4-yl)cyclohexane(11bR,11'bR)-4,4'-(1S,2S)-1,2-cyclohexanediylbis[4,5-dihydro-H-Dinaphth[2,1-c:1',2'-e]azepine(11bR,11'bR)-4,4'-(1S,2S)-1,2-Cyclohexanediylbis[4,5-dihydro-3H-dinaphth[2,1-c:1',2'-e]azepine(11bR,11'bR)-4,4'-(1S,2S)-1,2-Cyclohexanediylbis[4,5- dihydro-3H-dinaphth[2,1-c:1',2'-e]azepine3H-Dinaphth[2,1-c:1′,2′-e]azepine, 4,4′-(1S,2S)-1,2-cyclohexanediylbis[4,5-dihydro-, (11bR,11′bR)-(11bR,11'bR)-4,4'-(1S,2S)-1,2-Cyclohexanediylbis[4,5- dihydro-3H-dinaphth[2,1-c:1',2'-e]azepine,99%e.e.3H-Dinaphth[2,1-c:1',2'-e]azepine, 4,4'-(1S,2S)-1,2-cyclohexanediylbis[4,5-dihydro-, (11bR,11'bR)- (9CI)
Datenbank-Bezeichner
- CAS
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 12
- Polarare Oberfläche (TPSA)
- 6,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 52
- Formalladung
- 0
- Komplexität
- 1.040
Physikochemische Eigenschaften
- Dichte
- 1.242 · 1.242±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.481 · 6.481±0.20(predicted)
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
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