propan-2-one;tris(4-pyrimidin-4-ylpyrimidine);ruthenium(2+);dihexafluorophosphate

C27H24F12N12OP2Ru — CID 139054855

IUPACpropan-2-one;tris(4-pyrimidin-4-ylpyrimidine);ruthenium(2+);dihexafluorophosphate
SMILESCC(C)=O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1cc(-c2ccncn2)ncn1.c1cc(-c2ccncn2)ncn1.c1cc(-c2ccncn2)ncn1
InChIInChI=1S/3C8H6N4.C3H6O.2F6P.Ru/c3*1-3-9-5-11-7(1)8-2-4-10-6-12-8;1-3(2)4;2*1-7(2,3,4,5)6;/h3*1-6H;1-2H3;;;/q;;;;2*-1;+2
InChIKeyONVLRBGYJNXPQP-UHFFFAOYSA-N
MW923.57 g/mol
LogP10.16
Rot. Bonds3

About propan-2-one;tris(4-pyrimidin-4-ylpyrimidine);ruthenium(2+);dihexafluorophosphate

propan-2-one;tris(4-pyrimidin-4-ylpyrimidine);ruthenium(2+);dihexafluorophosphate (PubChem CID 139054855) has the molecular formula C27H24F12N12OP2Ru and a molecular weight of 923.57 g/mol. Its IUPAC name is propan-2-one;tris(4-pyrimidin-4-ylpyrimidine);ruthenium(2+);dihexafluorophosphate.

Molecular Properties

Compound Namepropan-2-one;tris(4-pyrimidin-4-ylpyrimidine);ruthenium(2+);dihexafluorophosphate
PubChem CID139054855
Molecular FormulaC27H24F12N12OP2Ru
Molecular Weight923.57 g/mol
Exact Mass924.05
IUPAC Namepropan-2-one;tris(4-pyrimidin-4-ylpyrimidine);ruthenium(2+);dihexafluorophosphate
SMILESCC(C)=O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1cc(-c2ccncn2)ncn1.c1cc(-c2ccncn2)ncn1.c1cc(-c2ccncn2)ncn1
InChIInChI=1S/3C8H6N4.C3H6O.2F6P.Ru/c3*1-3-9-5-11-7(1)8-2-4-10-6-12-8;1-3(2)4;2*1-7(2,3,4,5)6;/h3*1-6H;1-2H3;;;/q;;;;2*-1;+2
InChIKeyONVLRBGYJNXPQP-UHFFFAOYSA-N
XLogP10.16
TPSA171.75 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500923.57
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

benzene;tetrakis(cobalt(2+));bis(4,6-dipyridin-2-ylpyrimidine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
CID 139154705
Bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium(2+);dihexafluorophosphate
CID 139035237
Acetonitrile;2,6-dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);dihexafluorophosphate
CID 139141362
2,6-Dipyridin-2-ylpyridine;2-pyrimidin-2-ylpyrimidine;ruthenium(2+);hexafluorophosphate;nitrite
CID 139141363
CID 139141364
CID 139141364
3,6-Dipyridin-2-yl-4-pyrimidin-5-ylpyridazine;propan-2-one;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 139156893
Bis(2-methyl-4-pyridin-2-ylpyrimidine);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate
CID 139162696
Tetrasilver;tetrakis(4-pyridin-2-ylpyrimidine);tetratetrafluoroborate
CID 139184942
Bis(2-pyridin-2-ylpyridine);bis(pyrimidine);ruthenium(2+);dihexafluorophosphate
CID 139189219
Osmium;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine
CID 20805461
Bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium
CID 20805463
Carbanide;iridium;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium
CID 59184390

Frequently Asked Questions

What is the IUPAC name of propan-2-one;tris(4-pyrimidin-4-ylpyrimidine);ruthenium(2+);dihexafluorophosphate?
The IUPAC name of propan-2-one;tris(4-pyrimidin-4-ylpyrimidine);ruthenium(2+);dihexafluorophosphate (CID 139054855) is propan-2-one;tris(4-pyrimidin-4-ylpyrimidine);ruthenium(2+);dihexafluorophosphate.
What is the SMILES notation for propan-2-one;tris(4-pyrimidin-4-ylpyrimidine);ruthenium(2+);dihexafluorophosphate?
The canonical SMILES for propan-2-one;tris(4-pyrimidin-4-ylpyrimidine);ruthenium(2+);dihexafluorophosphate is CC(C)=O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1cc(-c2ccncn2)ncn1.c1cc(-c2ccncn2)ncn1.c1cc(-c2ccncn2)ncn1.
What is the InChIKey of propan-2-one;tris(4-pyrimidin-4-ylpyrimidine);ruthenium(2+);dihexafluorophosphate?
The InChIKey is ONVLRBGYJNXPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H6N4.C3H6O.2F6P.Ru/c3*1-3-9-5-11-7(1)8-2-4-10-6-12-8;1-3(2)4;2*1-7(2,3,4,5)6;/h3*1-6H;1-2H3;;;/q;;;;2*-1;+2.
What are the key properties of propan-2-one;tris(4-pyrimidin-4-ylpyrimidine);ruthenium(2+);dihexafluorophosphate?
propan-2-one;tris(4-pyrimidin-4-ylpyrimidine);ruthenium(2+);dihexafluorophosphate has a molecular weight of 923.57 g/mol, XLogP of 10.16, 3 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-one;tris(4-pyrimidin-4-ylpyrimidine);ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 139054855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).