2,9-dibutyl-1-(phenylmethyl)-2H-1,10-phenanthroline

Systemtic Name: 2,9-dibutyl-1-(phenylmethyl)-2H-1,10-phenanthroline Openeye Name: 1-benzyl-2,9-dibutyl-2H-1,10-phenanthroline CAS Name: 2,9-dibutyl-1-(phenylmethyl)-2H-1,10-phenanthroline IUPAC Name: 1-benzyl-2,9-dibutyl-2H-1,10-phenanthroline Traditional Name: 1-benzyl-2,9-dibutyl-2H-1,10-phenanthroline Formula: C27H32N2 MolecularWeight: 384.55638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2/c1-3-5-12-24-18-16-22-14-15-23-17-19-25(13-6-4-2)29(27(23)26(22)28-24)20-21-10-8-7-9-11-21/h7-11,14-19,25H,3-6,12-13,20H2,1-2H3