dichloro(2-phenylethenylidene)ruthenium;bis(tri(propan-2-yl)phosphanium)

C26H50Cl2P2Ru+2 — CID 20749039

IUPACdichloro(2-phenylethenylidene)ruthenium;bis(tri(propan-2-yl)phosphanium)
SMILESCC(C)[PH+](C(C)C)C(C)C.CC(C)[PH+](C(C)C)C(C)C.Cl[Ru](Cl)=C=Cc1ccccc1
InChIInChI=1S/2C9H21P.C8H6.2ClH.Ru/c2*1-7(2)10(8(3)4)9(5)6;1-2-8-6-4-3-5-7-8;;;/h2*7-9H,1-6H3;2-7H;2*1H;/q;;;;;+2
InChIKeyRVTKVOBFXQHZCQ-UHFFFAOYSA-N
MW596.61 g/mol
LogP9.88
Rot. Bonds7

About dichloro(2-phenylethenylidene)ruthenium;bis(tri(propan-2-yl)phosphanium)

dichloro(2-phenylethenylidene)ruthenium;bis(tri(propan-2-yl)phosphanium) (PubChem CID 20749039) has the molecular formula C26H50Cl2P2Ru+2 and a molecular weight of 596.61 g/mol. Its IUPAC name is dichloro(2-phenylethenylidene)ruthenium;bis(tri(propan-2-yl)phosphanium).

Molecular Properties

Compound Namedichloro(2-phenylethenylidene)ruthenium;bis(tri(propan-2-yl)phosphanium)
PubChem CID20749039
Molecular FormulaC26H50Cl2P2Ru+2
Molecular Weight596.61 g/mol
Exact Mass596.18
IUPAC Namedichloro(2-phenylethenylidene)ruthenium;bis(tri(propan-2-yl)phosphanium)
SMILESCC(C)[PH+](C(C)C)C(C)C.CC(C)[PH+](C(C)C)C(C)C.Cl[Ru](Cl)=C=Cc1ccccc1
InChIInChI=1S/2C9H21P.C8H6.2ClH.Ru/c2*1-7(2)10(8(3)4)9(5)6;1-2-8-6-4-3-5-7-8;;;/h2*7-9H,1-6H3;2-7H;2*1H;/q;;;;;+2
InChIKeyRVTKVOBFXQHZCQ-UHFFFAOYSA-N
XLogP9.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.61
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dichloro(2-phenylethenylidene)ruthenium;bis(tri(propan-2-yl)phosphanium) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dichloro(2-phenylethenylidene)ruthenium;bis(tri(propan-2-yl)phosphanium)?
The IUPAC name of dichloro(2-phenylethenylidene)ruthenium;bis(tri(propan-2-yl)phosphanium) (CID 20749039) is dichloro(2-phenylethenylidene)ruthenium;bis(tri(propan-2-yl)phosphanium).
What is the SMILES notation for dichloro(2-phenylethenylidene)ruthenium;bis(tri(propan-2-yl)phosphanium)?
The canonical SMILES for dichloro(2-phenylethenylidene)ruthenium;bis(tri(propan-2-yl)phosphanium) is CC(C)[PH+](C(C)C)C(C)C.CC(C)[PH+](C(C)C)C(C)C.Cl[Ru](Cl)=C=Cc1ccccc1.
What is the InChIKey of dichloro(2-phenylethenylidene)ruthenium;bis(tri(propan-2-yl)phosphanium)?
The InChIKey is RVTKVOBFXQHZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H21P.C8H6.2ClH.Ru/c2*1-7(2)10(8(3)4)9(5)6;1-2-8-6-4-3-5-7-8;;;/h2*7-9H,1-6H3;2-7H;2*1H;/q;;;;;+2.
What are the key properties of dichloro(2-phenylethenylidene)ruthenium;bis(tri(propan-2-yl)phosphanium)?
dichloro(2-phenylethenylidene)ruthenium;bis(tri(propan-2-yl)phosphanium) has a molecular weight of 596.61 g/mol, XLogP of 9.88, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(2-phenylethenylidene)ruthenium;bis(tri(propan-2-yl)phosphanium) is sourced from PubChem (CID 20749039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).