Chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium(II)

C41H35ClP2Ru — CID 10887092

IUPAC—
SMILESCl[Ru].[CH]1C=CC=C1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C5H5.ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;;/h2*1-15H;1-5H;1H;/q;;;;+1/p-1
InChIKeyYUYGUQQDGRTJMA-UHFFFAOYSA-M
MW726.20 g/mol
LogP8.89
Rot. Bonds6

About Chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium(II)

Chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium(II) (PubChem CID 10887092) has the molecular formula C41H35ClP2Ru and a molecular weight of 726.20 g/mol.

Molecular Properties

Compound NameChloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium(II)
PubChem CID10887092
Molecular FormulaC41H35ClP2Ru
Molecular Weight726.20 g/mol
Exact Mass726.09
IUPAC Name—
SMILESCl[Ru].[CH]1C=CC=C1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C5H5.ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;;/h2*1-15H;1-5H;1H;/q;;;;+1/p-1
InChIKeyYUYGUQQDGRTJMA-UHFFFAOYSA-M
XLogP8.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.20
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium(II)?
The IUPAC name of Chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium(II) (CID 10887092) is not available.
What is the SMILES notation for Chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium(II)?
The canonical SMILES for Chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium(II) is Cl[Ru].[CH]1C=CC=C1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of Chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium(II)?
The InChIKey is YUYGUQQDGRTJMA-UHFFFAOYSA-M. The full InChI is InChI=1S/2C18H15P.C5H5.ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;;/h2*1-15H;1-5H;1H;/q;;;;+1/p-1.
What are the key properties of Chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium(II)?
Chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium(II) has a molecular weight of 726.20 g/mol, XLogP of 8.89, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium(II) is sourced from PubChem (CID 10887092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).