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

Systemtic Name: 4-(7-butyl-1-fluoranyl-phenanthren-2-yl)-2,6-bis(fluoranyl)benzenecarbonitrile Openeye Name: 4-(7-butyl-1-fluoro-2-phenanthryl)-2,6-difluoro-benzonitrile CAS Name: 4-(7-butyl-1-fluoro-2-phenanthrenyl)-2,6-difluorobenzonitrile IUPAC Name: 4-(7-butyl-1-fluorophenanthren-2-yl)-2,6-difluorobenzonitrile Traditional Name: 4-(7-butyl-1-fluoro-2-phenanthryl)-2,6-difluoro-benzonitrile Formula: C25H18F3N MolecularWeight: 389.41233

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)C3=C(C=C2)C(=C(C=C3)C4=CC(=C(C(=C4)F)C#N)F)F

Isomeric SMILES

CCCCC1=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/C25H18F3N/c1-2-3-4-15-5-7-18-16(11-15)6-8-21-20(18)10-9-19(25(21)28)17-12-23(26)22(14-29)24(27)13-17/h5-13H,2-4H2,1H3