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

Systemtic Name: 4-[1,3-bis(fluoranyl)-7-hexyl-phenanthren-2-yl]benzenecarbonitrile Openeye Name: 4-(1,3-difluoro-7-hexyl-2-phenanthryl)benzonitrile CAS Name: 4-(1,3-difluoro-7-hexyl-2-phenanthrenyl)benzonitrile IUPAC Name: 4-(1,3-difluoro-7-hexylphenanthren-2-yl)benzonitrile Traditional Name: 4-(1,3-difluoro-7-hexyl-2-phenanthryl)benzonitrile Formula: C27H23F2N MolecularWeight: 399.475026

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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

Isomeric SMILES

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

InChI

InChI=1S/C27H23F2N/c1-2-3-4-5-6-18-9-13-22-21(15-18)12-14-23-24(22)16-25(28)26(27(23)29)20-10-7-19(17-30)8-11-20/h7-16H,2-6H2,1H3