5-dodec-11-ynyl-1,10-phenanthroline; 1,10-phenanthroline; ruthenium(2+); dihexafluorophosphate

Systemtic Name: 5-dodec-11-ynyl-1,10-phenanthroline; 1,10-phenanthroline; ruthenium(2+); dihexafluorophosphate Openeye Name: 5-dodec-11-ynyl-1,10-phenanthroline; 1,10-phenanthroline; ruthenium(2+); dihexafluorophosphate CAS Name: 5-dodec-11-ynyl-1,10-phenanthroline; 1,10-phenanthroline; ruthenium(2+); dihexafluorophosphate IUPAC Name: 5-dodec-11-ynyl-1,10-phenanthroline; 1,10-phenanthroline; ruthenium(2+); dihexafluorophosphate Traditional Name: 5-dodec-11-ynyl-1,10-phenanthroline; 1,10-phenanthroline; ruthenium(2+); dihexafluorophosphate Formula: C48H44F12N6P2Ru MolecularWeight: 1095.90152

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCCCCCCCCC1=C2C=CC=NC2=C3C(=C1)C=CC=N3.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]

Isomeric SMILES

C#CCCCCCCCCCCC1=C2C=CC=NC2=C3C(=C1)C=CC=N3.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]

InChI

InChI=1S/C24H28N2.2C12H8N2.2F6P.Ru/c1-2-3-4-5-6-7-8-9-10-11-14-20-19-21-15-12-17-25-23(21)24-22(20)16-13-18-26-24;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-7(2,3,4,5)6;/h1,12-13,15-19H,3-11,14H2;2*1-8H;;;/q;;;2*-1;+2