cyclopenta-1,3-diene;3,3-diphenylpropa-1,2-dienylideneruthenium(1+);bis(trimethylphosphanium)

C26H35P2Ru+2 — CID 11985827

IUPACcyclopenta-1,3-diene;3,3-diphenylpropa-1,2-dienylideneruthenium(1+);bis(trimethylphosphanium)
SMILESC[PH+](C)C.C[PH+](C)C.[Ru+]=C=C=C(c1ccccc1)c1ccccc1.c1cc[cH-]c1
InChIInChI=1S/C15H10.C5H5.2C3H9P.Ru/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2-4-5-3-1;2*1-4(2)3;/h3-12H;1-5H;2*1-3H3;/q;-1;;;+1/p+2
InChIKeyPJGPUDXWRBBBGL-UHFFFAOYSA-P
MW510.58 g/mol
LogP6.81
Rot. Bonds2

About cyclopenta-1,3-diene;3,3-diphenylpropa-1,2-dienylideneruthenium(1+);bis(trimethylphosphanium)

cyclopenta-1,3-diene;3,3-diphenylpropa-1,2-dienylideneruthenium(1+);bis(trimethylphosphanium) (PubChem CID 11985827) has the molecular formula C26H35P2Ru+2 and a molecular weight of 510.58 g/mol. Its IUPAC name is cyclopenta-1,3-diene;3,3-diphenylpropa-1,2-dienylideneruthenium(1+);bis(trimethylphosphanium).

Molecular Properties

Compound Namecyclopenta-1,3-diene;3,3-diphenylpropa-1,2-dienylideneruthenium(1+);bis(trimethylphosphanium)
PubChem CID11985827
Molecular FormulaC26H35P2Ru+2
Molecular Weight510.58 g/mol
Exact Mass511.12
IUPAC Namecyclopenta-1,3-diene;3,3-diphenylpropa-1,2-dienylideneruthenium(1+);bis(trimethylphosphanium)
SMILESC[PH+](C)C.C[PH+](C)C.[Ru+]=C=C=C(c1ccccc1)c1ccccc1.c1cc[cH-]c1
InChIInChI=1S/C15H10.C5H5.2C3H9P.Ru/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2-4-5-3-1;2*1-4(2)3;/h3-12H;1-5H;2*1-3H3;/q;-1;;;+1/p+2
InChIKeyPJGPUDXWRBBBGL-UHFFFAOYSA-P
XLogP6.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.58
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;3,3-diphenylpropa-1,2-dienylideneruthenium(1+);bis(trimethylphosphanium)?
The IUPAC name of cyclopenta-1,3-diene;3,3-diphenylpropa-1,2-dienylideneruthenium(1+);bis(trimethylphosphanium) (CID 11985827) is cyclopenta-1,3-diene;3,3-diphenylpropa-1,2-dienylideneruthenium(1+);bis(trimethylphosphanium).
What is the SMILES notation for cyclopenta-1,3-diene;3,3-diphenylpropa-1,2-dienylideneruthenium(1+);bis(trimethylphosphanium)?
The canonical SMILES for cyclopenta-1,3-diene;3,3-diphenylpropa-1,2-dienylideneruthenium(1+);bis(trimethylphosphanium) is C[PH+](C)C.C[PH+](C)C.[Ru+]=C=C=C(c1ccccc1)c1ccccc1.c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;3,3-diphenylpropa-1,2-dienylideneruthenium(1+);bis(trimethylphosphanium)?
The InChIKey is PJGPUDXWRBBBGL-UHFFFAOYSA-P. The full InChI is InChI=1S/C15H10.C5H5.2C3H9P.Ru/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-2-4-5-3-1;2*1-4(2)3;/h3-12H;1-5H;2*1-3H3;/q;-1;;;+1/p+2.
What are the key properties of cyclopenta-1,3-diene;3,3-diphenylpropa-1,2-dienylideneruthenium(1+);bis(trimethylphosphanium)?
cyclopenta-1,3-diene;3,3-diphenylpropa-1,2-dienylideneruthenium(1+);bis(trimethylphosphanium) has a molecular weight of 510.58 g/mol, XLogP of 6.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;3,3-diphenylpropa-1,2-dienylideneruthenium(1+);bis(trimethylphosphanium) is sourced from PubChem (CID 11985827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).