4-[1,3-bis(fluoranyl)-7-hexyl-phenanthren-2-yl]-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[1,3-bis(fluoranyl)-7-hexyl-phenanthren-2-yl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-(1,3-difluoro-7-hexyl-2-phenanthryl)-2-fluoro-benzonitrile CAS Name: 4-(1,3-difluoro-7-hexyl-2-phenanthrenyl)-2-fluorobenzonitrile IUPAC Name: 4-(1,3-difluoro-7-hexylphenanthren-2-yl)-2-fluorobenzonitrile Traditional Name: 4-(1,3-difluoro-7-hexyl-2-phenanthryl)-2-fluoro-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)F)C4=CC(=C(C=C4)C#N)F)F

Isomeric SMILES

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

InChI

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