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

Systemtic Name: 2,6-bis(fluoranyl)-4-(1-fluoranyl-7-heptyl-phenanthren-2-yl)benzenecarbonitrile Openeye Name: 2,6-difluoro-4-(1-fluoro-7-heptyl-2-phenanthryl)benzonitrile CAS Name: 2,6-difluoro-4-(1-fluoro-7-heptyl-2-phenanthrenyl)benzonitrile IUPAC Name: 2,6-difluoro-4-(1-fluoro-7-heptylphenanthren-2-yl)benzonitrile Traditional Name: 2,6-difluoro-4-(1-fluoro-7-heptyl-2-phenanthryl)benzonitrile Formula: C28H24F3N MolecularWeight: 431.49207

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC2=C(C=C1)C3=C(C=C2)C(=C(C=C3)C4=CC(=C(C(=C4)F)C#N)F)F

Isomeric SMILES

CCCCCCCC1=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/C28H24F3N/c1-2-3-4-5-6-7-18-8-10-21-19(14-18)9-11-24-23(21)13-12-22(28(24)31)20-15-26(29)25(17-32)27(30)16-20/h8-16H,2-7H2,1H3