Found 289 results

Search term: MF = 'C_{36}H_{42}N_{4}O_{2}'
ChemSpider 2D Image | (1S,2R,4R,10S,12R,13R,21Z)-26-(9H-beta-Carbolin-1-yl)-28-oxa-3,16-diazahexacyclo[11.11.2.1~1,4~.1~12,16~.0~2,12~.0~3,10~]octacosa-21,25-dien-7-one | C36H42N4O2

(1S,2R,4R,10S,12R,13R,21Z)-26-(9H-β-Carbolin-1-yl)-28-oxa-3,16-diazahexacyclo[11.11.2.11,4.112,16.02,12.03,10]octacosa-21,25-dien-7-one

  • Molecular FormulaC36H42N4O2
  • Average mass562.744 Da
  • Monoisotopic mass562.330750 Da
  • ChemSpider ID10019240

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S,2R,4R,10S,12R,13R,21Z)-26-(9H-β-Carbolin-1-yl)-28-oxa-3,16-diazahexacyclo[11.11.2.11,4.112,16.02,12.03,10]octacosa-21,25-dien-7-on [German] [ACD/IUPAC Name]
(1S,2R,4R,10S,12R,13R,21Z)-26-(9H-β-Carbolin-1-yl)-28-oxa-3,16-diazahexacyclo[11.11.2.11,4.112,16.02,12.03,10]octacosa-21,25-dien-7-one [ACD/IUPAC Name]
(1S,2R,4R,10S,12R,13R,21Z)-26-(9H-β-Carbolin-1-yl)-28-oxa-3,16-diazahexacyclo[11.11.2.11,4.112,16.02,12.03,10]octacosa-21,25-dién-7-one [French] [ACD/IUPAC Name]
3H,13bH-6a,2-[3]Octeno-1H-7-oxa-2,13c-diazacycloocta[3,4]pentaleno[1,6-ja]naphthalen-10(9H)-one, 4,4a,7a,8,11,12,12a,13-octahydro-5-(9H-pyrido[3,4-b]indol-1-yl)-, (4aR,6aS,7aR,12aS,13aR,13bR,16Z)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.705
Molar Refractivity: 166.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 3.17
ACD/KOC (pH 5.5): 5.52
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 151.27
ACD/KOC (pH 7.4): 263.69
Polar Surface Area: 61 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 427.7±5.0 cm3

Click to predict properties on the Chemicalize site


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