2,6-bis(fluoranyl)-4-(3-fluoranyl-7-hexyl-phenanthren-2-yl)benzenecarbonitrile

Systemtic Name: 2,6-bis(fluoranyl)-4-(3-fluoranyl-7-hexyl-phenanthren-2-yl)benzenecarbonitrile Openeye Name: 2,6-difluoro-4-(3-fluoro-7-hexyl-2-phenanthryl)benzonitrile CAS Name: 2,6-difluoro-4-(3-fluoro-7-hexyl-2-phenanthrenyl)benzonitrile IUPAC Name: 2,6-difluoro-4-(3-fluoro-7-hexylphenanthren-2-yl)benzonitrile Traditional Name: 2,6-difluoro-4-(3-fluoro-7-hexyl-2-phenanthryl)benzonitrile Formula: C27H22F3N MolecularWeight: 417.46549

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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)F)C#N)F)F

Isomeric SMILES

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

InChI

InChI=1S/C27H22F3N/c1-2-3-4-5-6-17-7-10-21-18(11-17)8-9-19-12-23(27(30)15-22(19)21)20-13-25(28)24(16-31)26(29)14-20/h7-15H,2-6H2,1H3