benzylidene(dichloro)ruthenium;carbanide;dichloro(3,3-diphenylprop-2-enylidene)ruthenium

C26H30Cl4Ru2-4 — CID 159135839

IUPACbenzylidene(dichloro)ruthenium;carbanide;dichloro(3,3-diphenylprop-2-enylidene)ruthenium
SMILESCl[Ru](Cl)=CC=C(c1ccccc1)c1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C15H12.C7H6.4CH3.4ClH.2Ru/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-7-5-3-2-4-6-7;;;;;;;;;;/h1-12H;1-6H;4*1H3;4*1H;;/q;;4*-1;;;;;2*+2/p-4
InChIKeyAWDVSEFCYXYQSQ-UHFFFAOYSA-J
MW686.48 g/mol
LogP9.41
Rot. Bonds4

About benzylidene(dichloro)ruthenium;carbanide;dichloro(3,3-diphenylprop-2-enylidene)ruthenium

benzylidene(dichloro)ruthenium;carbanide;dichloro(3,3-diphenylprop-2-enylidene)ruthenium (PubChem CID 159135839) has the molecular formula C26H30Cl4Ru2-4 and a molecular weight of 686.48 g/mol. Its IUPAC name is benzylidene(dichloro)ruthenium;carbanide;dichloro(3,3-diphenylprop-2-enylidene)ruthenium.

Molecular Properties

Compound Namebenzylidene(dichloro)ruthenium;carbanide;dichloro(3,3-diphenylprop-2-enylidene)ruthenium
PubChem CID159135839
Molecular FormulaC26H30Cl4Ru2-4
Molecular Weight686.48 g/mol
Exact Mass685.92
IUPAC Namebenzylidene(dichloro)ruthenium;carbanide;dichloro(3,3-diphenylprop-2-enylidene)ruthenium
SMILESCl[Ru](Cl)=CC=C(c1ccccc1)c1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C15H12.C7H6.4CH3.4ClH.2Ru/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-7-5-3-2-4-6-7;;;;;;;;;;/h1-12H;1-6H;4*1H3;4*1H;;/q;;4*-1;;;;;2*+2/p-4
InChIKeyAWDVSEFCYXYQSQ-UHFFFAOYSA-J
XLogP9.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.48
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze benzylidene(dichloro)ruthenium;carbanide;dichloro(3,3-diphenylprop-2-enylidene)ruthenium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzylidene(dichloro)ruthenium;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;methane
CID 161459967
benzylidene(dichloro)ruthenium;carbanide;bis(4-phenylpyridine)
CID 20740760
[(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene
CID 15791647
dichloro-[(Z)-3-phenylbut-2-enylidene]ruthenium;bis(triphenylphosphanium)
CID 21023059
[(1E)-1-chloro-4,4-diphenylbuta-1,3-dienyl]benzene
CID 54610555
1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene
CID 173138979
CID 173126547
CID 173126547
1-phenylbuta-1,3-dienylbenzene;samarium
CID 173396801
4-[(1E,3E)-1,4-diphenyl-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]-N,N-diphenylaniline
CID 59084118
1-chloro-4-(1,2-diphenylethenyl)benzene
CID 58695106
4-[1-(4-aminophenyl)-4,4-diphenylbuta-1,3-dienyl]aniline
CID 22124141
CID 172843956
CID 172843956

Frequently Asked Questions

What is the IUPAC name of benzylidene(dichloro)ruthenium;carbanide;dichloro(3,3-diphenylprop-2-enylidene)ruthenium?
The IUPAC name of benzylidene(dichloro)ruthenium;carbanide;dichloro(3,3-diphenylprop-2-enylidene)ruthenium (CID 159135839) is benzylidene(dichloro)ruthenium;carbanide;dichloro(3,3-diphenylprop-2-enylidene)ruthenium.
What is the SMILES notation for benzylidene(dichloro)ruthenium;carbanide;dichloro(3,3-diphenylprop-2-enylidene)ruthenium?
The canonical SMILES for benzylidene(dichloro)ruthenium;carbanide;dichloro(3,3-diphenylprop-2-enylidene)ruthenium is Cl[Ru](Cl)=CC=C(c1ccccc1)c1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.[CH3-].[CH3-].[CH3-].[CH3-].
What is the InChIKey of benzylidene(dichloro)ruthenium;carbanide;dichloro(3,3-diphenylprop-2-enylidene)ruthenium?
The InChIKey is AWDVSEFCYXYQSQ-UHFFFAOYSA-J. The full InChI is InChI=1S/C15H12.C7H6.4CH3.4ClH.2Ru/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-7-5-3-2-4-6-7;;;;;;;;;;/h1-12H;1-6H;4*1H3;4*1H;;/q;;4*-1;;;;;2*+2/p-4.
What are the key properties of benzylidene(dichloro)ruthenium;carbanide;dichloro(3,3-diphenylprop-2-enylidene)ruthenium?
benzylidene(dichloro)ruthenium;carbanide;dichloro(3,3-diphenylprop-2-enylidene)ruthenium has a molecular weight of 686.48 g/mol, XLogP of 9.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzylidene(dichloro)ruthenium;carbanide;dichloro(3,3-diphenylprop-2-enylidene)ruthenium is sourced from PubChem (CID 159135839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).