tris(2-pyrazin-2-ylpyrazine);ruthenium(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide

C56H30BF24N12Ru+ — CID 162405660

IUPACtris(2-pyrazin-2-ylpyrazine);ruthenium(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
SMILESFC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.[Ru+2].c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1
InChIInChI=1S/C32H12BF24.3C8H6N4.Ru/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;3*1-3-11-7(5-9-1)8-6-10-2-4-12-8;/h1-12H;3*1-6H;/q-1;;;;+2
InChIKeyVUIDCFCPEWSNHN-UHFFFAOYSA-N
MW1438.77 g/mol
LogP14.01
Rot. Bonds7

About tris(2-pyrazin-2-ylpyrazine);ruthenium(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide

tris(2-pyrazin-2-ylpyrazine);ruthenium(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide (PubChem CID 162405660) has the molecular formula C56H30BF24N12Ru+ and a molecular weight of 1438.77 g/mol. Its IUPAC name is tris(2-pyrazin-2-ylpyrazine);ruthenium(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide.

Molecular Properties

Compound Nametris(2-pyrazin-2-ylpyrazine);ruthenium(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
PubChem CID162405660
Molecular FormulaC56H30BF24N12Ru+
Molecular Weight1438.77 g/mol
Exact Mass1439.15
IUPAC Nametris(2-pyrazin-2-ylpyrazine);ruthenium(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
SMILESFC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.[Ru+2].c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1
InChIInChI=1S/C32H12BF24.3C8H6N4.Ru/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;3*1-3-11-7(5-9-1)8-6-10-2-4-12-8;/h1-12H;3*1-6H;/q-1;;;;+2
InChIKeyVUIDCFCPEWSNHN-UHFFFAOYSA-N
XLogP14.01
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001438.77
LogP ≤ 514.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

Tetrakis(2-(2,4-difluorophenyl)pyridine);bis(iridium);dichloride
CID 170996857
Tris(2-pyridin-2-ylpyridine);ruthenium(2+);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 72192756
Tetrakis(4-chloro-2-(4-chloro-2-pyridinyl)pyridine);bis(chlororuthenium(1+));bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139238461
6,6',6'',6'''-([1,1':3',1'':3'',1'''-Quaterphenyl]-2,2',2'',2'''-tetrayl)tetrakis(3-fluoropyridine)
CID 155908938
4,4 inverted exclamation mark-Bis(trifluoromethyl)-2,2 inverted exclamation mark-bipyridinebis[3,5-difluoro-2-(5-trifluoromethyl-2-pyridyl)phenyl]Iridium(III) Hexafluorophosphate
CID 162405658
4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium(3+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 166444863
1-[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 11191257
2~4~,3~4~,4~4~-(Benzene-1,3,5-triyl)tri(1~2~,2~2~:2~6~,3~2~-terpyridine)
CID 57701768
Quinquepyridine
CID 69500772
1,3,5-Tris(6-(3-(pyridin-3-yl)phenyl)pyridin-2-yl)benzene
CID 102128661
2,3,5,6-Tetra(pyridin-4-yl)pyrazine
CID 102355198
2-Pyridin-2-yl-3-[3-[3-(3-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridine
CID 129652270

Frequently Asked Questions

What is the IUPAC name of tris(2-pyrazin-2-ylpyrazine);ruthenium(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide?
The IUPAC name of tris(2-pyrazin-2-ylpyrazine);ruthenium(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide (CID 162405660) is tris(2-pyrazin-2-ylpyrazine);ruthenium(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide.
What is the SMILES notation for tris(2-pyrazin-2-ylpyrazine);ruthenium(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide?
The canonical SMILES for tris(2-pyrazin-2-ylpyrazine);ruthenium(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide is FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.[Ru+2].c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1.
What is the InChIKey of tris(2-pyrazin-2-ylpyrazine);ruthenium(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide?
The InChIKey is VUIDCFCPEWSNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H12BF24.3C8H6N4.Ru/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;3*1-3-11-7(5-9-1)8-6-10-2-4-12-8;/h1-12H;3*1-6H;/q-1;;;;+2.
What are the key properties of tris(2-pyrazin-2-ylpyrazine);ruthenium(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide?
tris(2-pyrazin-2-ylpyrazine);ruthenium(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide has a molecular weight of 1438.77 g/mol, XLogP of 14.01, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-pyrazin-2-ylpyrazine);ruthenium(2+);tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide is sourced from PubChem (CID 162405660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).