3,8-dihexyl-4,7-diphenyl-1,10-phenanthroline

Systemtic Name: 3,8-dihexyl-4,7-diphenyl-1,10-phenanthroline Openeye Name: 3,8-dihexyl-4,7-diphenyl-1,10-phenanthroline CAS Name: 3,8-dihexyl-4,7-diphenyl-1,10-phenanthroline IUPAC Name: 3,8-dihexyl-4,7-diphenyl-1,10-phenanthroline Traditional Name: 3,8-dihexyl-4,7-diphenyl-1,10-phenanthroline Formula: C36H40N2 MolecularWeight: 500.7162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C2C(=C1C3=CC=CC=C3)C=CC4=C(C(=CN=C42)CCCCCC)C5=CC=CC=C5

Isomeric SMILES

CCCCCCC1=CN=C2C(=C1C3=CC=CC=C3)C=CC4=C(C(=CN=C42)CCCCCC)C5=CC=CC=C5

InChI

InChI=1S/C36H40N2/c1-3-5-7-11-21-29-25-37-35-31(33(29)27-17-13-9-14-18-27)23-24-32-34(28-19-15-10-16-20-28)30(26-38-36(32)35)22-12-8-6-4-2/h9-10,13-20,23-26H,3-8,11-12,21-22H2,1-2H3