acetonitrile;2-(2-methyltetrazol-5-yl)pyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate

C28H25F12N11P2Ru — CID 139138905

IUPACacetonitrile;2-(2-methyltetrazol-5-yl)pyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
SMILESCC#N.Cn1nnc(-c2cnccn2)n1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.C6H6N6.C2H3N.2F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-12-10-6(9-11-12)5-4-7-2-3-8-5;1-2-3;2*1-7(2,3,4,5)6;/h2*1-8H;2-4H,1H3;1H3;;;/q;;;;2*-1;+2
InChIKeyJFTQTVFUEDDALC-UHFFFAOYSA-N
MW906.58 g/mol
LogP11.25
Rot. Bonds3

About acetonitrile;2-(2-methyltetrazol-5-yl)pyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate

acetonitrile;2-(2-methyltetrazol-5-yl)pyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate (PubChem CID 139138905) has the molecular formula C28H25F12N11P2Ru and a molecular weight of 906.58 g/mol. Its IUPAC name is acetonitrile;2-(2-methyltetrazol-5-yl)pyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate.

Molecular Properties

Compound Nameacetonitrile;2-(2-methyltetrazol-5-yl)pyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
PubChem CID139138905
Molecular FormulaC28H25F12N11P2Ru
Molecular Weight906.58 g/mol
Exact Mass907.06
IUPAC Nameacetonitrile;2-(2-methyltetrazol-5-yl)pyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
SMILESCC#N.Cn1nnc(-c2cnccn2)n1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.C6H6N6.C2H3N.2F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-12-10-6(9-11-12)5-4-7-2-3-8-5;1-2-3;2*1-7(2,3,4,5)6;/h2*1-8H;2-4H,1H3;1H3;;;/q;;;;2*-1;+2
InChIKeyJFTQTVFUEDDALC-UHFFFAOYSA-N
XLogP11.25
TPSA144.73 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500906.58
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

iridium(3+);bis(2-methyl-4-pyridin-2-yl-5H-pyrimidin-5-ide);4-pyridin-2-yl-2-(trifluoromethyl)pyrimidine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyrimidine
CID 157973675
[RuCl(tpy)(bpy)][PF6]
CID 138455536
Ru-bis(terpyridine)(PF~6~)~2~
CID 139056397
Bis(acetonitrile);carbamimidoylazanide;bis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));trihexafluorophosphate
CID 139065292
mu-2,3,5,6-Tetrakis(pyridin-2-yl)pyrazine-bis[(2,2':6',2''-terpyridine)ruthenium(II)] tetrakis(hexafluoridophosphate) acetonitrile tetrasolvate
CID 139085233
Bis[mu-3,5-bis(pyridin-2-yl)pyrazolato]bis[(hexafluorophosphato)copper(II)]
CID 139085858
5-(1-Butyltriazol-4-yl)-2-[5-(1-butyltriazol-4-yl)-2-pyridinyl]pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 139108058
[Zn4(bptz)4(CH3CN)8][BF4]8psi4CH3CN
CID 139118830
[Ru2II(mu-Cl)(bpp)(trpy)2](PF6)2
CID 139119153
Fe(II) Square with bptz and [BF4]-
CID 139121869
Methanolate;pyrazol-1-ide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dihexafluorophosphate
CID 139128249
in-[RuII(py)(Hbpp)(trpy)](PF6)2
CID 139130929

Frequently Asked Questions

What is the IUPAC name of acetonitrile;2-(2-methyltetrazol-5-yl)pyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?
The IUPAC name of acetonitrile;2-(2-methyltetrazol-5-yl)pyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate (CID 139138905) is acetonitrile;2-(2-methyltetrazol-5-yl)pyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate.
What is the SMILES notation for acetonitrile;2-(2-methyltetrazol-5-yl)pyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?
The canonical SMILES for acetonitrile;2-(2-methyltetrazol-5-yl)pyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate is CC#N.Cn1nnc(-c2cnccn2)n1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of acetonitrile;2-(2-methyltetrazol-5-yl)pyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?
The InChIKey is JFTQTVFUEDDALC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8N2.C6H6N6.C2H3N.2F6P.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-12-10-6(9-11-12)5-4-7-2-3-8-5;1-2-3;2*1-7(2,3,4,5)6;/h2*1-8H;2-4H,1H3;1H3;;;/q;;;;2*-1;+2.
What are the key properties of acetonitrile;2-(2-methyltetrazol-5-yl)pyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate?
acetonitrile;2-(2-methyltetrazol-5-yl)pyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate has a molecular weight of 906.58 g/mol, XLogP of 11.25, 3 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;2-(2-methyltetrazol-5-yl)pyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 139138905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).