5-[9,10-bis(fluoranyl)-7-hexyl-phenanthren-3-yl]-2-butoxy-pyridine

Systemtic Name: 5-[9,10-bis(fluoranyl)-7-hexyl-phenanthren-3-yl]-2-butoxy-pyridine Openeye Name: 2-butoxy-5-(9,10-difluoro-7-hexyl-3-phenanthryl)pyridine CAS Name: 2-butoxy-5-(9,10-difluoro-7-hexyl-3-phenanthrenyl)pyridine IUPAC Name: 2-butoxy-5-(9,10-difluoro-7-hexylphenanthren-3-yl)pyridine Traditional Name: 2-butoxy-5-(9,10-difluoro-7-hexyl-3-phenanthryl)pyridine Formula: C29H31F2NO MolecularWeight: 447.559346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C(=C3C=CC(=CC3=C2C=C1)C4=CN=C(C=C4)OCCCC)F)F

Isomeric SMILES

CCCCCCC1=CC2=C(C(=C3C=CC(=CC3=C2C=C1)C4=CN=C(C=C4)OCCCC)F)F

InChI

InChI=1S/C29H31F2NO/c1-3-5-7-8-9-20-10-13-23-25-18-21(11-14-24(25)28(30)29(31)26(23)17-20)22-12-15-27(32-19-22)33-16-6-4-2/h10-15,17-19H,3-9,16H2,1-2H3