Found 1 result

Search term: CN(C)CCCn1c(=O)c2cc(NCCCO)c3c4c(cc(NCCCO)c(c24)c1=O)c(=O)n(CCCN(C)C)c3=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 2,7-Bis[3-(dimethylamino)propyl]-4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone | C30H42N6O6

2,7-Bis[3-(dimethylamino)propyl]-4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone

  • Molecular FormulaC30H42N6O6
  • Average mass582.691 Da
  • Monoisotopic mass582.316589 Da
  • ChemSpider ID23314062

More details:

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

2,7-Bis[3-(dimethylamino)propyl]-4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthrolin-1,3,6,8(2H,7H)-tetron [German] [ACD/IUPAC Name]
2,7-Bis[3-(dimethylamino)propyl]-4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone [ACD/IUPAC Name]
2,7-Bis[3-(diméthylamino)propyl]-4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phénanthroline-1,3,6,8(2H,7H)-tétrone [French] [ACD/IUPAC Name]
Benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, 2,7-bis[3-(dimethylamino)propyl]-4,9-bis[(3-hydroxypropyl)amino]- [ACD/Index Name]
2,7-bis-(3-dimethylamino-propyl)-4,9-bis-(3-hydroxy-propylamino)-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL402205/
NII

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

Density: 1.3±0.1 g/cm3
Boiling Point: 808.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.2±3.0 kJ/mol
Flash Point: 442.8±34.3 °C
Index of Refraction: 1.659
Molar Refractivity: 161.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: -3.63
ACD/LogD (pH 5.5): -4.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 67.9±3.0 dyne/cm
Molar Volume: 438.5±3.0 cm3

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