1H,5H-benzo[ij]quinolizine-9-carboxylic acid, 2,3,6,7-tetrahydro-1,1,7,7-tetraphenyl-, 2-(4-nitrophenyl)-2-oxoethyl ester

ChemSpider ID: 2854922
Molecular Formula: C₄₅H₃₆N₂O₅
Average mass: 684.77771 Da
Monoisotopic mass: 684.262451 Da
Systematic name

2-(4-Nitrophenyl)-2-oxoethyl 1,1,7,7-tetraphenyl-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline-9-carboxylate
SMILES and InChIs

SMILES:

[O-][N+](=O)c1ccc(cc1)C(=O)COC(=O)c2cc6c5c(c2)C(c3ccccc3)(c4ccccc4)CCN5CCC6(c7ccccc7)c8ccccc8 Copied

Std. InChI:

InChI=1S/C45H36N2O5/c48-41(32-21-23-38(24-22-32)47(50)51)31-52-43(49)33-29-39-42-40(30-33)45(36-17-9-3-10-18-36,37-19-11-4-12-20-37)26-28-46(42)27-25-44(39,34-13-5-1-6-14-34)35-15-7-2-8-16-35/h1-24,29-30H,25-28,31H2 Copied

Std. InChIKey:

PYMUZVXCNGNYND-UHFFFAOYSA-N Copied
Cite this record
CSID:2854922, http://www.chemspider.com/Chemical-Structure.2854922.html (accessed 15:20, May 25, 2013) Copied

Names and Identifiers

Data supplied by datasources and users.

Experimental Physico-chemical Properties
- Experimental LogP:
  
  9.735 Vitas-M

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

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