4-(3-fluoranyl-7-heptyl-phenanthren-2-yl)benzenecarbonitrile

Systemtic Name: 4-(3-fluoranyl-7-heptyl-phenanthren-2-yl)benzenecarbonitrile Openeye Name: 4-(3-fluoro-7-heptyl-2-phenanthryl)benzonitrile CAS Name: 4-(3-fluoro-7-heptyl-2-phenanthrenyl)benzonitrile IUPAC Name: 4-(3-fluoro-7-heptylphenanthren-2-yl)benzonitrile Traditional Name: 4-(3-fluoro-7-heptyl-2-phenanthryl)benzonitrile Formula: C28H26FN MolecularWeight: 395.511143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26FN/c1-2-3-4-5-6-7-20-10-15-25-23(16-20)13-14-24-17-27(28(29)18-26(24)25)22-11-8-21(19-30)9-12-22/h8-18H,2-7H2,1H3