dichloro-[(2,4,5-trimethoxyphenyl)methylidene]ruthenium;triphenylphosphane

C28H27Cl2O3PRu — CID 139241375

IUPACdichloro-[(2,4,5-trimethoxyphenyl)methylidene]ruthenium;triphenylphosphane
SMILESCOc1cc(OC)c(OC)cc1C=[Ru](Cl)Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C10H12O3.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-9(12-3)10(13-4)6-8(7)11-2;;;/h1-15H;1,5-6H,2-4H3;2*1H;/q;;;;+2/p-2
InChIKeySBDVDVSNBSLUMP-UHFFFAOYSA-L
MW614.47 g/mol
LogP6.23
Rot. Bonds7

About dichloro-[(2,4,5-trimethoxyphenyl)methylidene]ruthenium;triphenylphosphane

dichloro-[(2,4,5-trimethoxyphenyl)methylidene]ruthenium;triphenylphosphane (PubChem CID 139241375) has the molecular formula C28H27Cl2O3PRu and a molecular weight of 614.47 g/mol. Its IUPAC name is dichloro-[(2,4,5-trimethoxyphenyl)methylidene]ruthenium;triphenylphosphane.

Molecular Properties

Compound Namedichloro-[(2,4,5-trimethoxyphenyl)methylidene]ruthenium;triphenylphosphane
PubChem CID139241375
Molecular FormulaC28H27Cl2O3PRu
Molecular Weight614.47 g/mol
Exact Mass614.01
IUPAC Namedichloro-[(2,4,5-trimethoxyphenyl)methylidene]ruthenium;triphenylphosphane
SMILESCOc1cc(OC)c(OC)cc1C=[Ru](Cl)Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C10H12O3.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-9(12-3)10(13-4)6-8(7)11-2;;;/h1-15H;1,5-6H,2-4H3;2*1H;/q;;;;+2/p-2
InChIKeySBDVDVSNBSLUMP-UHFFFAOYSA-L
XLogP6.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.47
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dichloro-[(5-hydroxy-2-methoxyphenyl)methylidene]ruthenium
CID 139241158
silane;triphenylphosphane
CID 161037280
phenyl-bis(2,4,6-trimethoxyphenyl)phosphane
CID 54206257
hypochlorous acid;ruthenium;tris(triphenylphosphane)
CID 160643547
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
(4-formyl-2,5-dimethoxyphenyl) benzoate
CID 71512769
palladium;ruthenium;triphenylphosphane
CID 174683160
ethane;triphenylphosphane
CID 90942156
triphenylphosphane
CID 139056248
chlorosilver;triphenylphosphane
CID 12824775
[2-(6-diphenylphosphanyl-2,3,4-trimethoxyphenyl)-3,4,5-trimethoxyphenyl]-diphenylphosphane
CID 11490978
3-chloro-4-(chloromethyl)-1-methoxy-2,5-dimethylbenzene;triphenylphosphane
CID 88737504

Frequently Asked Questions

What is the IUPAC name of dichloro-[(2,4,5-trimethoxyphenyl)methylidene]ruthenium;triphenylphosphane?
The IUPAC name of dichloro-[(2,4,5-trimethoxyphenyl)methylidene]ruthenium;triphenylphosphane (CID 139241375) is dichloro-[(2,4,5-trimethoxyphenyl)methylidene]ruthenium;triphenylphosphane.
What is the SMILES notation for dichloro-[(2,4,5-trimethoxyphenyl)methylidene]ruthenium;triphenylphosphane?
The canonical SMILES for dichloro-[(2,4,5-trimethoxyphenyl)methylidene]ruthenium;triphenylphosphane is COc1cc(OC)c(OC)cc1C=[Ru](Cl)Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dichloro-[(2,4,5-trimethoxyphenyl)methylidene]ruthenium;triphenylphosphane?
The InChIKey is SBDVDVSNBSLUMP-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H15P.C10H12O3.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-9(12-3)10(13-4)6-8(7)11-2;;;/h1-15H;1,5-6H,2-4H3;2*1H;/q;;;;+2/p-2.
What are the key properties of dichloro-[(2,4,5-trimethoxyphenyl)methylidene]ruthenium;triphenylphosphane?
dichloro-[(2,4,5-trimethoxyphenyl)methylidene]ruthenium;triphenylphosphane has a molecular weight of 614.47 g/mol, XLogP of 6.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[(2,4,5-trimethoxyphenyl)methylidene]ruthenium;triphenylphosphane is sourced from PubChem (CID 139241375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).