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

Systemtic Name: 4-(3-fluoranyl-7-hexyl-phenanthren-2-yl)benzenecarbonitrile Openeye Name: 4-(3-fluoro-7-hexyl-2-phenanthryl)benzonitrile CAS Name: 4-(3-fluoro-7-hexyl-2-phenanthrenyl)benzonitrile IUPAC Name: 4-(3-fluoro-7-hexylphenanthren-2-yl)benzonitrile Traditional Name: 4-(3-fluoro-7-hexyl-2-phenanthryl)benzonitrile Formula: C27H24FN MolecularWeight: 381.484563

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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

Isomeric SMILES

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

InChI

InChI=1S/C27H24FN/c1-2-3-4-5-6-19-9-14-24-22(15-19)12-13-23-16-26(27(28)17-25(23)24)21-10-7-20(18-29)8-11-21/h7-17H,2-6H2,1H3