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

Systemtic Name: 4-[1,3-bis(fluoranyl)-7-heptyl-phenanthren-2-yl]benzenecarbonitrile Openeye Name: 4-(1,3-difluoro-7-heptyl-2-phenanthryl)benzonitrile CAS Name: 4-(1,3-difluoro-7-heptyl-2-phenanthrenyl)benzonitrile IUPAC Name: 4-(1,3-difluoro-7-heptylphenanthren-2-yl)benzonitrile Traditional Name: 4-(1,3-difluoro-7-heptyl-2-phenanthryl)benzonitrile Formula: C28H25F2N MolecularWeight: 413.501606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC2=C(C=C1)C3=CC(=C(C(=C3C=C2)F)C4=CC=C(C=C4)C#N)F

Isomeric SMILES

CCCCCCCC1=CC2=C(C=C1)C3=CC(=C(C(=C3C=C2)F)C4=CC=C(C=C4)C#N)F

InChI

InChI=1S/C28H25F2N/c1-2-3-4-5-6-7-19-10-14-23-22(16-19)13-15-24-25(23)17-26(29)27(28(24)30)21-11-8-20(18-31)9-12-21/h8-17H,2-7H2,1H3