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

Systemtic Name: 2-fluoranyl-4-(1-fluoranyl-7-hexyl-phenanthren-2-yl)benzenecarbonitrile Openeye Name: 2-fluoro-4-(1-fluoro-7-hexyl-2-phenanthryl)benzonitrile CAS Name: 2-fluoro-4-(1-fluoro-7-hexyl-2-phenanthrenyl)benzonitrile IUPAC Name: 2-fluoro-4-(1-fluoro-7-hexylphenanthren-2-yl)benzonitrile Traditional Name: 2-fluoro-4-(1-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=C(C=C2)C(=C(C=C3)C4=CC(=C(C=C4)C#N)F)F

Isomeric SMILES

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

InChI

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