[3,4,7,8-tetramethyl-1,10-phenanthroline][1,7-bis[4(4′-methyl-2,2′-bipyridyl)]heptane]ruthenium(II) | SBID = 2092 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 2.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C43H44N6Ru++
M / g/mol: 745.94
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest, charged
  • Name: [3,4,7,8-tetramethyl-1,10-phenanthroline][1,7-bis[4(4′-methyl-2,2′-bipyridyl)]heptane]ruthenium(II)
  • Preferred Abbreviation: [3,4,7,8-tetramethyl-1,10-phenanthroline][1,7-bis[4(4′-methyl-2,2′-bipyridyl)]heptane]ruthenium(II)
  • IUPAC Name:
  • CAS:
  • CID: -914
  • InChiKey: YUBPIUSESBWVSR-UHFFFAOYSA-N
  • InChi: InChI=1S/C29H32N4.C14H12N2.Ru/c1-22-10-14-30-26(18-22)28-20-24(12-16-32-28)8-6-4-3-5-7-9-25-13-17-33-29(21-25)27-19-23(2)11-15-31-27;1-9-7-11-3-4-12-10(2)5-6-15-14(12)13(11)16-8-9;/h10-21H,3-9H2,1-2H3;3-8H,1-2H3;/q;;+2
  • CanoSmiles: CC1=CC=NC(C2=CC(CCCCCCCC3=CC=NC(C4=CC(C)=CC=N4)=C3)=CC=N2)=C1.CC5=CC=NC6=C5C=CC7=C6N=CC(C)=C7.[Ru+2]
  • IsoSmiles: CC1=CC=NC(C2=CC(CCCCCCCC3=CC=NC(C4=CC(C)=CC=N4)=C3)=CC=N2)=C1.CC5=CC=NC6=C5C=CC7=C6N=CC(C)=C7.[Ru+2]