4-(4-but-3-enylphenyl)-7-phenyl-1,10-phenanthroline; 4,7-diphenyl-1,10-phenanthroline; ruthenium(2+)

Systemtic Name: 4-(4-but-3-enylphenyl)-7-phenyl-1,10-phenanthroline; 4,7-diphenyl-1,10-phenanthroline; ruthenium(2+) Openeye Name: 4-(4-but-3-enylphenyl)-7-phenyl-1,10-phenanthroline; 4,7-diphenyl-1,10-phenanthroline; ruthenium(2+) CAS Name: 4-(4-but-3-enylphenyl)-7-phenyl-1,10-phenanthroline; 4,7-diphenyl-1,10-phenanthroline; ruthenium(2+) IUPAC Name: 4-(4-but-3-enylphenyl)-7-phenyl-1,10-phenanthroline; 4,7-diphenyl-1,10-phenanthroline; ruthenium(2+) Traditional Name: 4-(4-but-3-enylphenyl)-7-phenyl-1,10-phenanthroline; 4,7-diphenyl-1,10-phenanthroline; ruthenium(2+) Formula: C76H54N6Ru+2 MolecularWeight: 1152.35216

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.[Ru+2]

Isomeric SMILES

C=CCCC1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.[Ru+2]

InChI

InChI=1S/C28H22N2.2C24H16N2.Ru/c1-2-3-7-20-10-12-22(13-11-20)24-17-19-30-28-26(24)15-14-25-23(16-18-29-27(25)28)21-8-5-4-6-9-21;2*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;/h2,4-6,8-19H,1,3,7H2;2*1-16H;/q;;;+2