dichloro-[(Z)-3-phenylbut-2-enylidene]ruthenium;bis(triphenylphosphanium)

C46H42Cl2P2Ru+2 — CID 21023059

IUPACdichloro-[(Z)-3-phenylbut-2-enylidene]ruthenium;bis(triphenylphosphanium)
SMILESC/C(=C/C=[Ru](Cl)Cl)c1ccccc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C10H10.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-9(2)10-7-5-4-6-8-10;;;/h2*1-15H;1,3-8H,2H3;2*1H;/q;;;;;+2/b;;9-3-;;;
InChIKeyUPNLOVMHUKRCKF-QATNYRBPSA-N
MW828.77 g/mol
LogP10.17
Rot. Bonds8

About dichloro-[(Z)-3-phenylbut-2-enylidene]ruthenium;bis(triphenylphosphanium)

dichloro-[(Z)-3-phenylbut-2-enylidene]ruthenium;bis(triphenylphosphanium) (PubChem CID 21023059) has the molecular formula C46H42Cl2P2Ru+2 and a molecular weight of 828.77 g/mol. Its IUPAC name is dichloro-[(Z)-3-phenylbut-2-enylidene]ruthenium;bis(triphenylphosphanium).

Molecular Properties

Compound Namedichloro-[(Z)-3-phenylbut-2-enylidene]ruthenium;bis(triphenylphosphanium)
PubChem CID21023059
Molecular FormulaC46H42Cl2P2Ru+2
Molecular Weight828.77 g/mol
Exact Mass828.12
IUPAC Namedichloro-[(Z)-3-phenylbut-2-enylidene]ruthenium;bis(triphenylphosphanium)
SMILESC/C(=C/C=[Ru](Cl)Cl)c1ccccc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C10H10.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-9(2)10-7-5-4-6-8-10;;;/h2*1-15H;1,3-8H,2H3;2*1H;/q;;;;;+2/b;;9-3-;;;
InChIKeyUPNLOVMHUKRCKF-QATNYRBPSA-N
XLogP10.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.77
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dichloro-[(Z)-3-phenylbut-2-enylidene]ruthenium;bis(triphenylphosphanium) 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

[(E)-1-chloroprop-1-en-2-yl]benzene
CID 12504275
1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene
CID 143180234
benzylidene(dichloro)ruthenium;carbanide;dichloro(3,3-diphenylprop-2-enylidene)ruthenium
CID 159135839
benzylidene(dichloro)ruthenium;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;methane
CID 161459967
5-phenylhexa-2,4-dienal
CID 71444454
5-ethylhepta-2,4-dien-2-ylbenzene
CID 91182032
1-iodoprop-1-en-2-ylbenzene
CID 54065087
1-bromoprop-1-en-2-ylbenzene
CID 5152757
ethane;(Z)-3-phenylbut-2-en-1-imine
CID 142990186
hexakis(triphenylphosphanium);hexabromide
CID 160734106
palladium;triphenylphosphanium
CID 22229115
but-2-enoic acid;triphenylphosphanium
CID 161480622

Frequently Asked Questions

What is the IUPAC name of dichloro-[(Z)-3-phenylbut-2-enylidene]ruthenium;bis(triphenylphosphanium)?
The IUPAC name of dichloro-[(Z)-3-phenylbut-2-enylidene]ruthenium;bis(triphenylphosphanium) (CID 21023059) is dichloro-[(Z)-3-phenylbut-2-enylidene]ruthenium;bis(triphenylphosphanium).
What is the SMILES notation for dichloro-[(Z)-3-phenylbut-2-enylidene]ruthenium;bis(triphenylphosphanium)?
The canonical SMILES for dichloro-[(Z)-3-phenylbut-2-enylidene]ruthenium;bis(triphenylphosphanium) is C/C(=C/C=[Ru](Cl)Cl)c1ccccc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dichloro-[(Z)-3-phenylbut-2-enylidene]ruthenium;bis(triphenylphosphanium)?
The InChIKey is UPNLOVMHUKRCKF-QATNYRBPSA-N. The full InChI is InChI=1S/2C18H15P.C10H10.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-9(2)10-7-5-4-6-8-10;;;/h2*1-15H;1,3-8H,2H3;2*1H;/q;;;;;+2/b;;9-3-;;;.
What are the key properties of dichloro-[(Z)-3-phenylbut-2-enylidene]ruthenium;bis(triphenylphosphanium)?
dichloro-[(Z)-3-phenylbut-2-enylidene]ruthenium;bis(triphenylphosphanium) has a molecular weight of 828.77 g/mol, XLogP of 10.17, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[(Z)-3-phenylbut-2-enylidene]ruthenium;bis(triphenylphosphanium) is sourced from PubChem (CID 21023059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).