2-fluoranyl-4-(1-fluoranyl-7-heptyl-phenanthren-2-yl)benzenecarbonitrile

Systemtic Name: 2-fluoranyl-4-(1-fluoranyl-7-heptyl-phenanthren-2-yl)benzenecarbonitrile Openeye Name: 2-fluoro-4-(1-fluoro-7-heptyl-2-phenanthryl)benzonitrile CAS Name: 2-fluoro-4-(1-fluoro-7-heptyl-2-phenanthrenyl)benzonitrile IUPAC Name: 2-fluoro-4-(1-fluoro-7-heptylphenanthren-2-yl)benzonitrile Traditional Name: 2-fluoro-4-(1-fluoro-7-heptyl-2-phenanthryl)benzonitrile Formula: C28H25F2N MolecularWeight: 413.501606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC2=C(C=C1)C3=C(C=C2)C(=C(C=C3)C4=CC(=C(C=C4)C#N)F)F

Isomeric SMILES

CCCCCCCC1=CC2=C(C=C1)C3=C(C=C2)C(=C(C=C3)C4=CC(=C(C=C4)C#N)F)F

InChI

InChI=1S/C28H25F2N/c1-2-3-4-5-6-7-19-8-12-23-20(16-19)11-13-26-25(23)15-14-24(28(26)30)21-9-10-22(18-31)27(29)17-21/h8-17H,2-7H2,1H3