bis(2-pyridin-2-ylpyridine);ruthenium;2-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline

C40H27F3N8Ru — CID 59456371

IUPACbis(2-pyridin-2-ylpyridine);ruthenium;2-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESFC(F)(F)c1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C20H11F3N4.2C10H8N2.Ru/c21-20(22,23)14-8-2-1-5-11(14)19-26-17-12-6-3-9-24-15(12)16-13(18(17)27-19)7-4-10-25-16;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-10H,(H,26,27);2*1-8H;
InChIKeyIWNJLCYZMYBMGA-UHFFFAOYSA-N
MW777.78 g/mol
LogP9.63
Rot. Bonds3

About bis(2-pyridin-2-ylpyridine);ruthenium;2-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline

bis(2-pyridin-2-ylpyridine);ruthenium;2-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 59456371) has the molecular formula C40H27F3N8Ru and a molecular weight of 777.78 g/mol. Its IUPAC name is bis(2-pyridin-2-ylpyridine);ruthenium;2-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Namebis(2-pyridin-2-ylpyridine);ruthenium;2-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline
PubChem CID59456371
Molecular FormulaC40H27F3N8Ru
Molecular Weight777.78 g/mol
Exact Mass778.14
IUPAC Namebis(2-pyridin-2-ylpyridine);ruthenium;2-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESFC(F)(F)c1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C20H11F3N4.2C10H8N2.Ru/c21-20(22,23)14-8-2-1-5-11(14)19-26-17-12-6-3-9-24-15(12)16-13(18(17)27-19)7-4-10-25-16;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-10H,(H,26,27);2*1-8H;
InChIKeyIWNJLCYZMYBMGA-UHFFFAOYSA-N
XLogP9.63
TPSA106.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.78
LogP ≤ 59.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Apto-253
CID 11960271
2-Benzyl-7-(4-fluorophenyl)-8-(pyridin-4-yl)-3,6-dihydroimidazo[4,5-e]indole
CID 9844915
6-fluoro-2-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(7-methyl-1H-pyrrolo[3,2-b]pyridin-6-yl)quinazoline-2,5-diamine
CID 164514691
6-fluoro-2-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(1H-pyrrolo[2,3-c]pyridin-4-yl)quinazoline-2,5-diamine
CID 164514697
6-fluoro-2-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(7-methyl-1H-imidazo[4,5-b]pyridin-6-yl)quinazoline-2,5-diamine
CID 164514713
APTO-253 HCl
CID 133065448
2-Phenylimidazo(4,5-f)(1,10)phenanthroline
CID 12058770
2-(4-Fluoro-phenyl)-1h-imidazo[4,5-f][1,10]phenanthroline
CID 46866548
2-(4-Methylphenyl)imidazo(4,5-f)1,10-phenanthroline
CID 50916710
2-[4-(Trifluoromethyl)phenyl]-1,3,7,8-tetraaza-1H-cyclopenta[l]phenanthrene
CID 51352245
US10202370, Example 041
CID 90466658
2-[4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-g]quinoline
CID 127044079

Frequently Asked Questions

What is the IUPAC name of bis(2-pyridin-2-ylpyridine);ruthenium;2-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of bis(2-pyridin-2-ylpyridine);ruthenium;2-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline (CID 59456371) is bis(2-pyridin-2-ylpyridine);ruthenium;2-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for bis(2-pyridin-2-ylpyridine);ruthenium;2-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for bis(2-pyridin-2-ylpyridine);ruthenium;2-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline is FC(F)(F)c1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(2-pyridin-2-ylpyridine);ruthenium;2-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is IWNJLCYZMYBMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3N4.2C10H8N2.Ru/c21-20(22,23)14-8-2-1-5-11(14)19-26-17-12-6-3-9-24-15(12)16-13(18(17)27-19)7-4-10-25-16;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-10H,(H,26,27);2*1-8H;.
What are the key properties of bis(2-pyridin-2-ylpyridine);ruthenium;2-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline?
bis(2-pyridin-2-ylpyridine);ruthenium;2-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 777.78 g/mol, XLogP of 9.63, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-pyridin-2-ylpyridine);ruthenium;2-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 59456371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).