benzylidene(dichloro)ruthenium;carbanide;bis(4-phenylpyridine)

C30H27Cl2N2Ru- — CID 20740760

IUPACbenzylidene(dichloro)ruthenium;carbanide;bis(4-phenylpyridine)
SMILESCl[Ru](Cl)=Cc1ccccc1.[CH3-].c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1
InChIInChI=1S/2C11H9N.C7H6.CH3.2ClH.Ru/c2*1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-7-5-3-2-4-6-7;;;;/h2*1-9H;1-6H;1H3;2*1H;/q;;;-1;;;+2/p-2
InChIKeyHVVBVBQDBQLQRI-UHFFFAOYSA-L
MW587.54 g/mol
LogP8.71
Rot. Bonds3

About benzylidene(dichloro)ruthenium;carbanide;bis(4-phenylpyridine)

benzylidene(dichloro)ruthenium;carbanide;bis(4-phenylpyridine) (PubChem CID 20740760) has the molecular formula C30H27Cl2N2Ru- and a molecular weight of 587.54 g/mol. Its IUPAC name is benzylidene(dichloro)ruthenium;carbanide;bis(4-phenylpyridine).

Molecular Properties

Compound Namebenzylidene(dichloro)ruthenium;carbanide;bis(4-phenylpyridine)
PubChem CID20740760
Molecular FormulaC30H27Cl2N2Ru-
Molecular Weight587.54 g/mol
Exact Mass587.06
IUPAC Namebenzylidene(dichloro)ruthenium;carbanide;bis(4-phenylpyridine)
SMILESCl[Ru](Cl)=Cc1ccccc1.[CH3-].c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1
InChIInChI=1S/2C11H9N.C7H6.CH3.2ClH.Ru/c2*1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-7-5-3-2-4-6-7;;;;/h2*1-9H;1-6H;1H3;2*1H;/q;;;-1;;;+2/p-2
InChIKeyHVVBVBQDBQLQRI-UHFFFAOYSA-L
XLogP8.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.54
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;4-phenylpyridine
CID 175775455
carbanide;dichloro(ethylidene)ruthenium;bis(4-pyridin-4-ylpyridine)
CID 23525097
bis(4-phenylpyridine);trichloroiridium
CID 58162878
formic acid;4-phenylpyridine
CID 162013415
4-[4-(3-phenylphenyl)phenyl]pyridine
CID 58943522
benzylidene(dichloro)ruthenium;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;methane
CID 161459967
4-[4-[2,4-diphenyl-5-(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine
CID 67990612
hexakis(benzylidene(dichloro)ruthenium);bis(1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);tetrakis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);tetrakis(3-bromopyridine);methane;bis(4-methylpyridine);bis(4-phenylpyridine);tetrakis(pyridine)
CID 159401909
4-(2-phenylethenyl)pyridine;hydrochloride
CID 71352999
gold;4-pyridin-4-ylpyridine
CID 159917709
2-chloro-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 142751330
4-(3-tritylphenyl)pyridine
CID 174423529

Frequently Asked Questions

What is the IUPAC name of benzylidene(dichloro)ruthenium;carbanide;bis(4-phenylpyridine)?
The IUPAC name of benzylidene(dichloro)ruthenium;carbanide;bis(4-phenylpyridine) (CID 20740760) is benzylidene(dichloro)ruthenium;carbanide;bis(4-phenylpyridine).
What is the SMILES notation for benzylidene(dichloro)ruthenium;carbanide;bis(4-phenylpyridine)?
The canonical SMILES for benzylidene(dichloro)ruthenium;carbanide;bis(4-phenylpyridine) is Cl[Ru](Cl)=Cc1ccccc1.[CH3-].c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccncc2)cc1.
What is the InChIKey of benzylidene(dichloro)ruthenium;carbanide;bis(4-phenylpyridine)?
The InChIKey is HVVBVBQDBQLQRI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H9N.C7H6.CH3.2ClH.Ru/c2*1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-7-5-3-2-4-6-7;;;;/h2*1-9H;1-6H;1H3;2*1H;/q;;;-1;;;+2/p-2.
What are the key properties of benzylidene(dichloro)ruthenium;carbanide;bis(4-phenylpyridine)?
benzylidene(dichloro)ruthenium;carbanide;bis(4-phenylpyridine) has a molecular weight of 587.54 g/mol, XLogP of 8.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzylidene(dichloro)ruthenium;carbanide;bis(4-phenylpyridine) is sourced from PubChem (CID 20740760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).