bis[3,4-bis(chloranyl)-2-pyridin-2-yl-6-(trifluoromethyl)phenanthren-9-yl]methanone

Systemtic Name: bis[3,4-bis(chloranyl)-2-pyridin-2-yl-6-(trifluoromethyl)phenanthren-9-yl]methanone Openeye Name: bis[3,4-dichloro-2-(2-pyridyl)-6-(trifluoromethyl)-9-phenanthryl]methanone CAS Name: bis[3,4-dichloro-2-(2-pyridinyl)-6-(trifluoromethyl)-9-phenanthrenyl]methanone IUPAC Name: bis[3,4-dichloro-2-pyridin-2-yl-6-(trifluoromethyl)phenanthren-9-yl]methanone Traditional Name: bis[3,4-dichloro-2-(2-pyridyl)-6-(trifluoromethyl)-9-phenanthryl]methanone Formula: C41H18Cl4F6N2O MolecularWeight: 810.396839

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=C(C(=C3C(=C2)C=C(C4=C3C=C(C=C4)C(F)(F)F)C(=O)C5=CC6=CC(=C(C(=C6C7=C5C=CC(=C7)C(F)(F)F)Cl)Cl)C8=CC=CC=N8)Cl)Cl

Isomeric SMILES

C1=CC=NC(=C1)C2=C(C(=C3C(=C2)C=C(C4=C3C=C(C=C4)C(F)(F)F)C(=O)C5=CC6=CC(=C(C(=C6C7=C5C=CC(=C7)C(F)(F)F)Cl)Cl)C8=CC=CC=N8)Cl)Cl

InChI

InChI=1S/C41H18Cl4F6N2O/c42-35-29(31-5-1-3-11-52-31)15-19-13-27(23-9-7-21(40(46,47)48)17-25(23)33(19)37(35)44)39(54)28-14-20-16-30(32-6-2-4-12-53-32)36(43)38(45)34(20)26-18-22(41(49,50)51)8-10-24(26)28/h1-18H