tris(acetonitrile);ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate;osmium;hexafluorophosphate

C25H25F6N5O2OsP- — CID 71714755

IUPACtris(acetonitrile);ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate;osmium;hexafluorophosphate
SMILESCC#N.CC#N.CC#N.CCOC(=O)c1cc(-c2ccccc2)nc(-c2ccccn2)c1.F[P-](F)(F)(F)(F)F.[Os]
InChIInChI=1S/C19H16N2O2.3C2H3N.F6P.Os/c1-2-23-19(22)15-12-17(14-8-4-3-5-9-14)21-18(13-15)16-10-6-7-11-20-16;3*1-2-3;1-7(2,3,4,5)6;/h3-13H,2H2,1H3;3*1H3;;/q;;;;-1;
InChIKeyYVKKLZZZEVDQOZ-UHFFFAOYSA-N
MW762.70 g/mol
LogP8.96
Rot. Bonds4

About tris(acetonitrile);ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate;osmium;hexafluorophosphate

tris(acetonitrile);ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate;osmium;hexafluorophosphate (PubChem CID 71714755) has the molecular formula C25H25F6N5O2OsP- and a molecular weight of 762.70 g/mol. Its IUPAC name is tris(acetonitrile);ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate;osmium;hexafluorophosphate.

Molecular Properties

Compound Nametris(acetonitrile);ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate;osmium;hexafluorophosphate
PubChem CID71714755
Molecular FormulaC25H25F6N5O2OsP-
Molecular Weight762.70 g/mol
Exact Mass764.13
IUPAC Nametris(acetonitrile);ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate;osmium;hexafluorophosphate
SMILESCC#N.CC#N.CC#N.CCOC(=O)c1cc(-c2ccccc2)nc(-c2ccccn2)c1.F[P-](F)(F)(F)(F)F.[Os]
InChIInChI=1S/C19H16N2O2.3C2H3N.F6P.Os/c1-2-23-19(22)15-12-17(14-8-4-3-5-9-14)21-18(13-15)16-10-6-7-11-20-16;3*1-2-3;1-7(2,3,4,5)6;/h3-13H,2H2,1H3;3*1H3;;/q;;;;-1;
InChIKeyYVKKLZZZEVDQOZ-UHFFFAOYSA-N
XLogP8.96
TPSA123.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.70
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate
CID 102197724
bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(2-phenyl-4,6-dipyridin-2-yl-1,3,5-triazine);bis(ruthenium(2+));tetrahexafluorophosphate
CID 139184896
acetonitrile;bis(2,6-dipyridin-2-ylpyridine);ethoxyethane;propan-2-one;pyridine;2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate
CID 139136940
ethyl 2,6-diphenylpyrimidine-4-carboxylate
CID 15372800
bis(acetonitrile);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 11320289
ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate
CID 22425101
ethyl 4-(2-amino-2-oxoethoxy)-2-phenylquinoline-6-carboxylate
CID 46298743
1-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]ethanone
CID 164780913
2,4-diphenyl-6-pyridin-2-ylpyrimidine
CID 126746872
ethyl 2,6-bis(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;trichlororuthenium
CID 145155892
bis(acetonitrile);pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 139133343
ethyl 4-pyridin-2-yl-3-(trifluoromethylsulfanyl)benzoate
CID 102236679

Frequently Asked Questions

What is the IUPAC name of tris(acetonitrile);ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate;osmium;hexafluorophosphate?
The IUPAC name of tris(acetonitrile);ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate;osmium;hexafluorophosphate (CID 71714755) is tris(acetonitrile);ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate;osmium;hexafluorophosphate.
What is the SMILES notation for tris(acetonitrile);ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate;osmium;hexafluorophosphate?
The canonical SMILES for tris(acetonitrile);ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate;osmium;hexafluorophosphate is CC#N.CC#N.CC#N.CCOC(=O)c1cc(-c2ccccc2)nc(-c2ccccn2)c1.F[P-](F)(F)(F)(F)F.[Os].
What is the InChIKey of tris(acetonitrile);ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate;osmium;hexafluorophosphate?
The InChIKey is YVKKLZZZEVDQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2.3C2H3N.F6P.Os/c1-2-23-19(22)15-12-17(14-8-4-3-5-9-14)21-18(13-15)16-10-6-7-11-20-16;3*1-2-3;1-7(2,3,4,5)6;/h3-13H,2H2,1H3;3*1H3;;/q;;;;-1;.
What are the key properties of tris(acetonitrile);ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate;osmium;hexafluorophosphate?
tris(acetonitrile);ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate;osmium;hexafluorophosphate has a molecular weight of 762.70 g/mol, XLogP of 8.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(acetonitrile);ethyl 2-phenyl-6-pyridin-2-ylpyridine-4-carboxylate;osmium;hexafluorophosphate is sourced from PubChem (CID 71714755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).