Found 5 results

Search term: MF = 'C_{42}H_{30}N_{8}'
ChemSpider 2D Image | (1R,5S,24R,28S)-3,26-Dimethyl-7,13,16,22,30,36,39,45-octaazatetradecacyclo[26.18.1.1~5,24~.0~2,27~.0~3,26~.0~4,25~.0~6,23~.0~8,21~.0~9,14~.0~15,20~.0~29,46~.0~31,44~.0~32,37~.0~38,43~]octatetraconta-6 ,8(21),9(14),10,12,15(20),16,18,22,29,31(44),32(37),33,35,38(43),39,41,45-octadecaene | C42H30N8

(1R,5S,24R,28S)-3,26-Dimethyl-7,13,16,22,30,36,39,45-octaazatetradecacyclo[26.18.1.15,24.02,27.03,26.04,25.06,23.08,21.09,14.015,20.029,46.031,44.032,37.038,43]octatetraconta-6 ,8(21),9(14),10,12,15(20),16,18,22,29,31(44),32(37),33,35,38(43),39,41,45-octadecaene

  • Molecular FormulaC42H30N8
  • Average mass646.741 Da
  • Monoisotopic mass646.259338 Da
  • ChemSpider ID8707633

  • defined stereocentres - 4 of 10 defined stereocentres

More details:

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

(1R,5S,24R,28S)-3,26-Dimethyl-7,13,16,22,30,36,39,45-octaazatetradecacyclo[26.18.1.15,24.02,27.03,26.04,25.06,23.08,21.09,14.015,20.029,46.031,44.032,37.038,43]octatetraconta-6
 ,8(21),9(14),10,12,15(20),16,18,22,29,31(44),32(37),33,35,38(43),39,41,45-octadecaen [German] [ACD/IUPAC Name]
(1R,5S,24R,28S)-3,26-Dimethyl-7,13,16,22,30,36,39,45-octaazatetradecacyclo[26.18.1.15,24.02,27.03,26.04,25.06,23.08,21.09,14.015,20.029,46.031,44.032,37.038,43]octatetraconta-6
 ,8(21),9(14),10,12,15(20),16,18,22,29,31(44),32(37),33,35,38(43),39,41,45-octadecaene [ACD/IUPAC Name]
(1R,5S,24R,28S)-3,26-Diméthyl-7,13,16,22,30,36,39,45-octaazatétradécacyclo[26.18.1.15,24.02,27.03,26.04,25.06,23.08,21.09,14.015,20.029,46.031,44.032,37.038,43]octatétraconta-6
 ,8(21),9(14),10,12,15(20),16,18,22,29,31(44),32(37),33,35,38(43),39,41,45-octadécaène [French] [ACD/IUPAC Name]
10,23:11,22-Dimethanodipyrido[2''',3''':8'',9'';3'''',2'''':6'',7'']phenazino[2'',3'':3',4']cyclobuta[1',2':3,4]cyclobuta[1,2-i]dipyrido[3,2-a:2',3'-c]phenazine, 10,10a,10b,10c,11,22,22a,22b,22c,23-de cahydro-10b,22b-dimethyl-, (10R,11S,22R,23S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.877
Molar Refractivity: 195.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 6.99
ACD/LogD (pH 5.5): 7.08
ACD/BCF (pH 5.5): 140908.20
ACD/KOC (pH 5.5): 168727.63
ACD/LogD (pH 7.4): 7.08
ACD/BCF (pH 7.4): 140908.20
ACD/KOC (pH 7.4): 168727.63
Polar Surface Area: 103 Å2
Polarizability: 77.6±0.5 10-24cm3
Surface Tension: 93.3±3.0 dyne/cm
Molar Volume: 428.5±3.0 cm3

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