2,6-bis(fluoranyl)-4-(1-fluoranyl-7-hexyl-phenanthren-2-yl)benzenecarbonitrile

Systemtic Name: 2,6-bis(fluoranyl)-4-(1-fluoranyl-7-hexyl-phenanthren-2-yl)benzenecarbonitrile Openeye Name: 2,6-difluoro-4-(1-fluoro-7-hexyl-2-phenanthryl)benzonitrile CAS Name: 2,6-difluoro-4-(1-fluoro-7-hexyl-2-phenanthrenyl)benzonitrile IUPAC Name: 2,6-difluoro-4-(1-fluoro-7-hexylphenanthren-2-yl)benzonitrile Traditional Name: 2,6-difluoro-4-(1-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=C(C=C2)C(=C(C=C3)C4=CC(=C(C(=C4)F)C#N)F)F

Isomeric SMILES

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

InChI

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