2-fluoranyl-4-(3-fluoranyl-7-heptyl-phenanthren-2-yl)benzenecarbonitrile

Systemtic Name: 2-fluoranyl-4-(3-fluoranyl-7-heptyl-phenanthren-2-yl)benzenecarbonitrile Openeye Name: 2-fluoro-4-(3-fluoro-7-heptyl-2-phenanthryl)benzonitrile CAS Name: 2-fluoro-4-(3-fluoro-7-heptyl-2-phenanthrenyl)benzonitrile IUPAC Name: 2-fluoro-4-(3-fluoro-7-heptylphenanthren-2-yl)benzonitrile Traditional Name: 2-fluoro-4-(3-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=CC(=C(C=C3C=C2)C4=CC(=C(C=C4)C#N)F)F

Isomeric SMILES

CCCCCCCC1=CC2=C(C=C1)C3=CC(=C(C=C3C=C2)C4=CC(=C(C=C4)C#N)F)F

InChI

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