1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+)

C40H28N6Ru+2 — CID 138986830

IUPAC1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+)
SMILES[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C18H12N2.C12H8N2.C10H8N2.Ru/c1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-12H;1-8H;1-8H;/q;;;+2
InChIKeyXSIWSXAJVPHLSJ-UHFFFAOYSA-N
MW693.78 g/mol
LogP9.37
Rot. Bonds2

About 1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+)

1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+) (PubChem CID 138986830) has the molecular formula C40H28N6Ru+2 and a molecular weight of 693.78 g/mol. Its IUPAC name is 1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+).

Molecular Properties

Compound Name1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+)
PubChem CID138986830
Molecular FormulaC40H28N6Ru+2
Molecular Weight693.78 g/mol
Exact Mass694.14
IUPAC Name1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+)
SMILES[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C18H12N2.C12H8N2.C10H8N2.Ru/c1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-12H;1-8H;1-8H;/q;;;+2
InChIKeyXSIWSXAJVPHLSJ-UHFFFAOYSA-N
XLogP9.37
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.78
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+) with MolForge

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Launch Full Analysis

Related Compounds

iridium(3+);bis(2-pyridin-2-ylquinoline)
CID 175803396
8-phenylquinoline;2-pyridin-2-ylquinoline
CID 143968866
2-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]quinoline
CID 59273786
2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+);3,5,20,22-tetrazapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 138986845
5,6-dimethyl-1,10-phenanthroline;osmium(6+);bis(2-quinolin-2-ylquinoline);dichloride
CID 90466727
2-[7-[2-[4-(1,10-phenanthrolin-2-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-1,10-phenanthroline
CID 164780762
8-pyridin-2-ylquinoline
CID 10982041
3,8-dipyridin-2-yl-4,7-phenanthroline
CID 91243626
2-[3,5-di(quinolin-3-yl)phenyl]-7-(2-pyridin-2-ylquinolin-7-yl)quinoline;2-pyridin-2-yl-7-[2-(3-quinolin-3-ylphenyl)quinolin-7-yl]quinoline;2-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]-1,10-phenanthroline
CID 165071745
platinum(2+);6-pyridin-2-ylquinoxalino[2,3-f][1,10]phenanthroline;chloride
CID 71543302
2-[4-[4-(4-pyridin-2-ylphenyl)-6-(4-quinolin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 122427220
2-phenylquinoline;quinolin-8-ol
CID 159295421

Frequently Asked Questions

What is the IUPAC name of 1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+)?
The IUPAC name of 1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+) (CID 138986830) is 1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+).
What is the SMILES notation for 1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+)?
The canonical SMILES for 1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+) is [Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of 1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+)?
The InChIKey is XSIWSXAJVPHLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2.C12H8N2.C10H8N2.Ru/c1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-12H;1-8H;1-8H;/q;;;+2.
What are the key properties of 1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+)?
1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+) has a molecular weight of 693.78 g/mol, XLogP of 9.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+) is sourced from PubChem (CID 138986830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).