bis(acetonitrile);N-(4-methylphenyl)-1-pyridin-2-ylmethanimine;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate

C27H26F12N6P2Ru — CID 139164914

IUPACbis(acetonitrile);N-(4-methylphenyl)-1-pyridin-2-ylmethanimine;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate
SMILESCC#N.CC#N.Cc1ccc(/N=C/c2ccccn2)cc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C13H12N2.C10H8N2.2C2H3N.2F6P.Ru/c1-11-5-7-12(8-6-11)15-10-13-4-2-3-9-14-13;1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-3;2*1-7(2,3,4,5)6;/h2-10H,1H3;1-8H;2*1H3;;;/q;;;;2*-1;+2/b15-10+;;;;;;
InChIKeyDWDNUSXVQVVIHD-JYWHLQINSA-N
MW825.54 g/mol
LogP13.11
Rot. Bonds3

About bis(acetonitrile);N-(4-methylphenyl)-1-pyridin-2-ylmethanimine;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate

bis(acetonitrile);N-(4-methylphenyl)-1-pyridin-2-ylmethanimine;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate (PubChem CID 139164914) has the molecular formula C27H26F12N6P2Ru and a molecular weight of 825.54 g/mol. Its IUPAC name is bis(acetonitrile);N-(4-methylphenyl)-1-pyridin-2-ylmethanimine;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate.

Molecular Properties

Compound Namebis(acetonitrile);N-(4-methylphenyl)-1-pyridin-2-ylmethanimine;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate
PubChem CID139164914
Molecular FormulaC27H26F12N6P2Ru
Molecular Weight825.54 g/mol
Exact Mass826.05
IUPAC Namebis(acetonitrile);N-(4-methylphenyl)-1-pyridin-2-ylmethanimine;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate
SMILESCC#N.CC#N.Cc1ccc(/N=C/c2ccccn2)cc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C13H12N2.C10H8N2.2C2H3N.2F6P.Ru/c1-11-5-7-12(8-6-11)15-10-13-4-2-3-9-14-13;1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-3;2*1-7(2,3,4,5)6;/h2-10H,1H3;1-8H;2*1H3;;;/q;;;;2*-1;+2/b15-10+;;;;;;
InChIKeyDWDNUSXVQVVIHD-JYWHLQINSA-N
XLogP13.11
TPSA98.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.54
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-methyl-8-pyridin-3-yl-5-(2-pyridin-2-ylethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 54581998
9-(3-piperidin-1-ylpropyl)-2-(3-pyridin-4-ylpropyl)-3,4-dihydro-1H-pyrido[3,4-b]indole
CID 44268113
9-(3-piperidin-1-ylpropyl)-2-(3-pyridin-3-ylpropyl)-3,4-dihydro-1H-pyrido[3,4-b]indole
CID 44268114
9-(3-piperidin-1-ylpropyl)-2-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole
CID 44268179
Indolizine, 1-methyl-2-phenyl-3-((4-phenyl-1-piperazinyl)methyl)-
CID 42873
Tris(4,4'-dimethyl-2,2'-bipyridine)ruthenium(II) hexafluorophosphate
CID 15198704
1-methyl-2-{[4-(3-pyridinyl)-1-piperazinyl]methyl}-1H-indole
CID 70706708
4-((1~2~,2~2~:2~6~,3~2~-Terpyridin)-2~4~-yl)aniline
CID 10860314
Benzenamine, N,N-dimethyl-4-[2,2':6',2''-terpyridin]-4'-yl-
CID 11100268
Lambda2-ruthenium(2+) tris(4-ethenyl-4'-methyl-2,2'-bipyridine) bis(hexafluoro-lambda5-phosphanuide)
CID 165604873
Eistl01
CID 139115975
Bis(acetonitrile);2,6-dipyridin-2-ylpyridine;ruthenium(2+);4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;dihexafluorophosphate
CID 139171244

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);N-(4-methylphenyl)-1-pyridin-2-ylmethanimine;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate?
The IUPAC name of bis(acetonitrile);N-(4-methylphenyl)-1-pyridin-2-ylmethanimine;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate (CID 139164914) is bis(acetonitrile);N-(4-methylphenyl)-1-pyridin-2-ylmethanimine;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate.
What is the SMILES notation for bis(acetonitrile);N-(4-methylphenyl)-1-pyridin-2-ylmethanimine;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate?
The canonical SMILES for bis(acetonitrile);N-(4-methylphenyl)-1-pyridin-2-ylmethanimine;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate is CC#N.CC#N.Cc1ccc(/N=C/c2ccccn2)cc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(acetonitrile);N-(4-methylphenyl)-1-pyridin-2-ylmethanimine;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate?
The InChIKey is DWDNUSXVQVVIHD-JYWHLQINSA-N. The full InChI is InChI=1S/C13H12N2.C10H8N2.2C2H3N.2F6P.Ru/c1-11-5-7-12(8-6-11)15-10-13-4-2-3-9-14-13;1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-3;2*1-7(2,3,4,5)6;/h2-10H,1H3;1-8H;2*1H3;;;/q;;;;2*-1;+2/b15-10+;;;;;;.
What are the key properties of bis(acetonitrile);N-(4-methylphenyl)-1-pyridin-2-ylmethanimine;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate?
bis(acetonitrile);N-(4-methylphenyl)-1-pyridin-2-ylmethanimine;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate has a molecular weight of 825.54 g/mol, XLogP of 13.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);N-(4-methylphenyl)-1-pyridin-2-ylmethanimine;2-pyridin-2-ylpyridine;ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 139164914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).