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

Systemtic Name: 2-fluoranyl-4-(3-fluoranyl-7-hexyl-phenanthren-2-yl)benzenecarbonitrile Openeye Name: 2-fluoro-4-(3-fluoro-7-hexyl-2-phenanthryl)benzonitrile CAS Name: 2-fluoro-4-(3-fluoro-7-hexyl-2-phenanthrenyl)benzonitrile IUPAC Name: 2-fluoro-4-(3-fluoro-7-hexylphenanthren-2-yl)benzonitrile Traditional Name: 2-fluoro-4-(3-fluoro-7-hexyl-2-phenanthryl)benzonitrile Formula: C27H23F2N MolecularWeight: 399.475026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1)C3=CC(=C(C=C3C=C2)C4=CC(=C(C=C4)C#N)F)F

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1)C3=CC(=C(C=C3C=C2)C4=CC(=C(C=C4)C#N)F)F

InChI

InChI=1S/C27H23F2N/c1-2-3-4-5-6-18-7-12-23-19(13-18)8-9-20-14-25(27(29)16-24(20)23)21-10-11-22(17-30)26(28)15-21/h7-16H,2-6H2,1H3