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

Systemtic Name: 2,9-dihexyl-1-(phenylmethyl)-2H-1,10-phenanthroline Openeye Name: 1-benzyl-2,9-dihexyl-2H-1,10-phenanthroline CAS Name: 2,9-dihexyl-1-(phenylmethyl)-2H-1,10-phenanthroline IUPAC Name: 1-benzyl-2,9-dihexyl-2H-1,10-phenanthroline Traditional Name: 1-benzyl-2,9-dihexyl-2H-1,10-phenanthroline Formula: C31H40N2 MolecularWeight: 440.6627

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C=CC2=C(N1CC3=CC=CC=C3)C4=C(C=C2)C=CC(=N4)CCCCCC

Isomeric SMILES

CCCCCCC1C=CC2=C(N1CC3=CC=CC=C3)C4=C(C=C2)C=CC(=N4)CCCCCC

InChI

InChI=1S/C31H40N2/c1-3-5-7-12-16-28-22-20-26-18-19-27-21-23-29(17-13-8-6-4-2)33(31(27)30(26)32-28)24-25-14-10-9-11-15-25/h9-11,14-15,18-23,29H,3-8,12-13,16-17,24H2,1-2H3