2-butyl-9-phenyl-1-(phenylmethyl)-2H-1,10-phenanthroline

Systemtic Name: 2-butyl-9-phenyl-1-(phenylmethyl)-2H-1,10-phenanthroline Openeye Name: 1-benzyl-2-butyl-9-phenyl-2H-1,10-phenanthroline CAS Name: 2-butyl-9-phenyl-1-(phenylmethyl)-2H-1,10-phenanthroline IUPAC Name: 1-benzyl-2-butyl-9-phenyl-2H-1,10-phenanthroline Traditional Name: 1-benzyl-2-butyl-9-phenyl-2H-1,10-phenanthroline Formula: C29H28N2 MolecularWeight: 404.54602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C=CC2=C(N1CC3=CC=CC=C3)C4=C(C=C2)C=CC(=N4)C5=CC=CC=C5

Isomeric SMILES

CCCCC1C=CC2=C(N1CC3=CC=CC=C3)C4=C(C=C2)C=CC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C29H28N2/c1-2-3-14-26-19-17-25-16-15-24-18-20-27(23-12-8-5-9-13-23)30-28(24)29(25)31(26)21-22-10-6-4-7-11-22/h4-13,15-20,26H,2-3,14,21H2,1H3