chlororuthenium(1+);cyclopenta-1,3-diene;diphenylphosphanylmethyl(diphenyl)phosphane

C30H27ClP2Ru — CID 84819438

IUPACchlororuthenium(1+);cyclopenta-1,3-diene;diphenylphosphanylmethyl(diphenyl)phosphane
SMILESCl[Ru+].[C-]1=CC=CC1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P2.C5H5.ClH.Ru/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;1-2-4-5-3-1;;/h1-20H,21H2;1-3H,4H2;1H;/q;-1;;+2/p-1
InChIKeyHIUCLICYSZRRGX-UHFFFAOYSA-M
MW586.02 g/mol
LogP7.20
Rot. Bonds6

About chlororuthenium(1+);cyclopenta-1,3-diene;diphenylphosphanylmethyl(diphenyl)phosphane

chlororuthenium(1+);cyclopenta-1,3-diene;diphenylphosphanylmethyl(diphenyl)phosphane (PubChem CID 84819438) has the molecular formula C30H27ClP2Ru and a molecular weight of 586.02 g/mol. Its IUPAC name is chlororuthenium(1+);cyclopenta-1,3-diene;diphenylphosphanylmethyl(diphenyl)phosphane.

Molecular Properties

Compound Namechlororuthenium(1+);cyclopenta-1,3-diene;diphenylphosphanylmethyl(diphenyl)phosphane
PubChem CID84819438
Molecular FormulaC30H27ClP2Ru
Molecular Weight586.02 g/mol
Exact Mass586.03
IUPAC Namechlororuthenium(1+);cyclopenta-1,3-diene;diphenylphosphanylmethyl(diphenyl)phosphane
SMILESCl[Ru+].[C-]1=CC=CC1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P2.C5H5.ClH.Ru/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;1-2-4-5-3-1;;/h1-20H,21H2;1-3H,4H2;1H;/q;-1;;+2/p-1
InChIKeyHIUCLICYSZRRGX-UHFFFAOYSA-M
XLogP7.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.02
LogP ≤ 57.20
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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Related Compounds

CID 11365296
CID 11365296
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CID 173207547
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CID 174807203
chlororuthenium;cyclopenta-1,3-diene;diphenylphosphanylmethyl(diphenyl)phosphane
CID 138393078
diphenylphosphanylmethyl(diphenyl)phosphane;rhenium;trichloride;hydroxide
CID 71678326
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CID 18991635
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CID 67644722
diphenylphosphanylmethyl(diphenyl)phosphane;ruthenium
CID 87761562
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CID 174293313
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CID 174656990
bis(cyclopenta-1,3-diene);dichlorotungsten
CID 76518723
cyclopenta-1,3-diene;phenol;titanium;chloride
CID 19734747

Frequently Asked Questions

What is the IUPAC name of chlororuthenium(1+);cyclopenta-1,3-diene;diphenylphosphanylmethyl(diphenyl)phosphane?
The IUPAC name of chlororuthenium(1+);cyclopenta-1,3-diene;diphenylphosphanylmethyl(diphenyl)phosphane (CID 84819438) is chlororuthenium(1+);cyclopenta-1,3-diene;diphenylphosphanylmethyl(diphenyl)phosphane.
What is the SMILES notation for chlororuthenium(1+);cyclopenta-1,3-diene;diphenylphosphanylmethyl(diphenyl)phosphane?
The canonical SMILES for chlororuthenium(1+);cyclopenta-1,3-diene;diphenylphosphanylmethyl(diphenyl)phosphane is Cl[Ru+].[C-]1=CC=CC1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of chlororuthenium(1+);cyclopenta-1,3-diene;diphenylphosphanylmethyl(diphenyl)phosphane?
The InChIKey is HIUCLICYSZRRGX-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H22P2.C5H5.ClH.Ru/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;1-2-4-5-3-1;;/h1-20H,21H2;1-3H,4H2;1H;/q;-1;;+2/p-1.
What are the key properties of chlororuthenium(1+);cyclopenta-1,3-diene;diphenylphosphanylmethyl(diphenyl)phosphane?
chlororuthenium(1+);cyclopenta-1,3-diene;diphenylphosphanylmethyl(diphenyl)phosphane has a molecular weight of 586.02 g/mol, XLogP of 7.20, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chlororuthenium(1+);cyclopenta-1,3-diene;diphenylphosphanylmethyl(diphenyl)phosphane is sourced from PubChem (CID 84819438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).