bis(acetonitrile);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);ruthenium(2+)

C54H54N2P4Ru+6 — CID 6390174

IUPACbis(acetonitrile);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);ruthenium(2+)
SMILESCC#N.CC#N.[Ru+2].c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C25H22P2.2C2H3N.Ru/c2*1-5-13-22(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;2*1-2-3;/h2*1-20H,21H2;2*1H3;/q;;;;+2/p+4
InChIKeyXCACWEYCAJGSAC-UHFFFAOYSA-R
MW956.01 g/mol
LogP10.41
Rot. Bonds12

About bis(acetonitrile);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);ruthenium(2+)

bis(acetonitrile);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);ruthenium(2+) (PubChem CID 6390174) has the molecular formula C54H54N2P4Ru+6 and a molecular weight of 956.01 g/mol. Its IUPAC name is bis(acetonitrile);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);ruthenium(2+).

Molecular Properties

Compound Namebis(acetonitrile);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);ruthenium(2+)
PubChem CID6390174
Molecular FormulaC54H54N2P4Ru+6
Molecular Weight956.01 g/mol
Exact Mass956.22
IUPAC Namebis(acetonitrile);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);ruthenium(2+)
SMILESCC#N.CC#N.[Ru+2].c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C25H22P2.2C2H3N.Ru/c2*1-5-13-22(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;2*1-2-3;/h2*1-20H,21H2;2*1H3;/q;;;;+2/p+4
InChIKeyXCACWEYCAJGSAC-UHFFFAOYSA-R
XLogP10.41
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500956.01
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);ruthenium(2+)?
The IUPAC name of bis(acetonitrile);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);ruthenium(2+) (CID 6390174) is bis(acetonitrile);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);ruthenium(2+).
What is the SMILES notation for bis(acetonitrile);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);ruthenium(2+)?
The canonical SMILES for bis(acetonitrile);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);ruthenium(2+) is CC#N.CC#N.[Ru+2].c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(acetonitrile);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);ruthenium(2+)?
The InChIKey is XCACWEYCAJGSAC-UHFFFAOYSA-R. The full InChI is InChI=1S/2C25H22P2.2C2H3N.Ru/c2*1-5-13-22(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;2*1-2-3;/h2*1-20H,21H2;2*1H3;/q;;;;+2/p+4.
What are the key properties of bis(acetonitrile);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);ruthenium(2+)?
bis(acetonitrile);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);ruthenium(2+) has a molecular weight of 956.01 g/mol, XLogP of 10.41, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);ruthenium(2+) is sourced from PubChem (CID 6390174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).