hexane;bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);bis(2-pyridin-2-yl-6-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine);bis(ruthenium(2+))

C66H50F12N16O2Ru2 — CID 139131625

IUPAChexane;bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);bis(2-pyridin-2-yl-6-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine);bis(ruthenium(2+))
SMILESCCCCCC.FC(F)(F)c1cc(Cc2cccc(-c3ccccn3)n2)[n-]n1.FC(F)(F)c1cc(Cc2cccc(-c3ccccn3)n2)[n-]n1.O=C(c1cccc(-c2ccccn2)n1)c1cc(C(F)(F)F)n[n-]1.O=C(c1cccc(-c2ccccn2)n1)c1cc(C(F)(F)F)n[n-]1.[Ru+2].[Ru+2]
InChIInChI=1S/2C15H9F3N4O.2C15H10F3N4.C6H14.2Ru/c2*16-15(17,18)13-8-12(21-22-13)14(23)11-6-3-5-10(20-11)9-4-1-2-7-19-9;2*16-15(17,18)14-9-11(21-22-14)8-10-4-3-6-13(20-10)12-5-1-2-7-19-12;1-3-5-6-4-2;;/h2*1-8H,(H,21,22,23);2*1-7,9H,8H2;3-6H2,1-2H3;;/q;;2*-1;;2*+2/p-2
InChIKeyQZVVQVUPOQBTNW-UHFFFAOYSA-L
MW1529.35 g/mol
LogP14.28
Rot. Bonds15

About hexane;bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);bis(2-pyridin-2-yl-6-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine);bis(ruthenium(2+))

hexane;bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);bis(2-pyridin-2-yl-6-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine);bis(ruthenium(2+)) (PubChem CID 139131625) has the molecular formula C66H50F12N16O2Ru2 and a molecular weight of 1529.35 g/mol. Its IUPAC name is hexane;bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);bis(2-pyridin-2-yl-6-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine);bis(ruthenium(2+)).

Molecular Properties

Compound Namehexane;bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);bis(2-pyridin-2-yl-6-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine);bis(ruthenium(2+))
PubChem CID139131625
Molecular FormulaC66H50F12N16O2Ru2
Molecular Weight1529.35 g/mol
Exact Mass1530.22
IUPAC Namehexane;bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);bis(2-pyridin-2-yl-6-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine);bis(ruthenium(2+))
SMILESCCCCCC.FC(F)(F)c1cc(Cc2cccc(-c3ccccn3)n2)[n-]n1.FC(F)(F)c1cc(Cc2cccc(-c3ccccn3)n2)[n-]n1.O=C(c1cccc(-c2ccccn2)n1)c1cc(C(F)(F)F)n[n-]1.O=C(c1cccc(-c2ccccn2)n1)c1cc(C(F)(F)F)n[n-]1.[Ru+2].[Ru+2]
InChIInChI=1S/2C15H9F3N4O.2C15H10F3N4.C6H14.2Ru/c2*16-15(17,18)13-8-12(21-22-13)14(23)11-6-3-5-10(20-11)9-4-1-2-7-19-9;2*16-15(17,18)14-9-11(21-22-14)8-10-4-3-6-13(20-10)12-5-1-2-7-19-12;1-3-5-6-4-2;;/h2*1-8H,(H,21,22,23);2*1-7,9H,8H2;3-6H2,1-2H3;;/q;;2*-1;;2*+2/p-2
InChIKeyQZVVQVUPOQBTNW-UHFFFAOYSA-L
XLogP14.28
TPSA245.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001529.35
LogP ≤ 514.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze hexane;bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);bis(2-pyridin-2-yl-6-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine);bis(ruthenium(2+)) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);ruthenium(2+)
CID 139131626
Osmium(2+);bis(propan-2-one);(6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone;(6-pyridin-2-yl-2-pyridinyl)-[5-(trifluoromethyl)pyrazol-1-id-3-yl]methanone
CID 139131627
CID 157303773
CID 157303773
8-[1-[3,5-difluoro-4-(trifluoromethyl)phenyl]-4-methyl-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[4-methyl-5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-3H-pyrrolo[3,2-b]pyridin-2-one;1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-pyrrolo[3,2-b]pyridin-2-one;8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1-(2,4,6-trifluorophenyl)-1,8-diazaspiro[4.5]decan-4-one
CID 157701145
1-(4-Fluoro-3-methylbenzene-6-id-1-yl)pyrazole;hexakis(iridium);1-(3-methylbenzene-6-id-1-yl)pyrazole;bis(1-(5-methylpyrrol-1-id-2-yl)ethanone);2-methyl-1-pyrrol-1-id-2-ylpropan-1-one;3-phenylisoquinoline;2-(phenylmethyl)pyridine;2-phenylpyridine;1-pyrrol-1-id-2-ylethanone;1-(4,5,6,7-tetrahydroindol-1-id-2-yl)ethanone;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole;1-[4-(trifluoromethyl)pyrrol-1-id-2-yl]ethanone
CID 157735170
CID 158354204
CID 158354204
8-[5-(2,6-Dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one
CID 159114917
CID 157594390
CID 157594390
CID 161655257
CID 161655257

Frequently Asked Questions

What is the IUPAC name of hexane;bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);bis(2-pyridin-2-yl-6-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine);bis(ruthenium(2+))?
The IUPAC name of hexane;bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);bis(2-pyridin-2-yl-6-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine);bis(ruthenium(2+)) (CID 139131625) is hexane;bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);bis(2-pyridin-2-yl-6-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine);bis(ruthenium(2+)).
What is the SMILES notation for hexane;bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);bis(2-pyridin-2-yl-6-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine);bis(ruthenium(2+))?
The canonical SMILES for hexane;bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);bis(2-pyridin-2-yl-6-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine);bis(ruthenium(2+)) is CCCCCC.FC(F)(F)c1cc(Cc2cccc(-c3ccccn3)n2)[n-]n1.FC(F)(F)c1cc(Cc2cccc(-c3ccccn3)n2)[n-]n1.O=C(c1cccc(-c2ccccn2)n1)c1cc(C(F)(F)F)n[n-]1.O=C(c1cccc(-c2ccccn2)n1)c1cc(C(F)(F)F)n[n-]1.[Ru+2].[Ru+2].
What is the InChIKey of hexane;bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);bis(2-pyridin-2-yl-6-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine);bis(ruthenium(2+))?
The InChIKey is QZVVQVUPOQBTNW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H9F3N4O.2C15H10F3N4.C6H14.2Ru/c2*16-15(17,18)13-8-12(21-22-13)14(23)11-6-3-5-10(20-11)9-4-1-2-7-19-9;2*16-15(17,18)14-9-11(21-22-14)8-10-4-3-6-13(20-10)12-5-1-2-7-19-12;1-3-5-6-4-2;;/h2*1-8H,(H,21,22,23);2*1-7,9H,8H2;3-6H2,1-2H3;;/q;;2*-1;;2*+2/p-2.
What are the key properties of hexane;bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);bis(2-pyridin-2-yl-6-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine);bis(ruthenium(2+))?
hexane;bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);bis(2-pyridin-2-yl-6-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine);bis(ruthenium(2+)) has a molecular weight of 1529.35 g/mol, XLogP of 14.28, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for hexane;bis((6-pyridin-2-yl-2-pyridinyl)-[3-(trifluoromethyl)pyrazol-1-id-5-yl]methanone);bis(2-pyridin-2-yl-6-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine);bis(ruthenium(2+)) is sourced from PubChem (CID 139131625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).