carbanide;diphenylphosphaniumylmethyl(diphenyl)phosphanium;methanone;rhenium;ruthenium(3+)

C31H32O5P2ReRu- — CID 162398575

IUPACcarbanide;diphenylphosphaniumylmethyl(diphenyl)phosphanium;methanone;rhenium;ruthenium(3+)
SMILES[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[Re].[Ru+3].c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P2.5CHO.CH3.Re.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;5*1-2;;;/h1-20H,21H2;5*1H;1H3;;/q;6*-1;;+3/p+2
InChIKeySHBUVSHCKJENCP-UHFFFAOYSA-P
MW833.82 g/mol
LogP3.75
Rot. Bonds6

About carbanide;diphenylphosphaniumylmethyl(diphenyl)phosphanium;methanone;rhenium;ruthenium(3+)

carbanide;diphenylphosphaniumylmethyl(diphenyl)phosphanium;methanone;rhenium;ruthenium(3+) (PubChem CID 162398575) has the molecular formula C31H32O5P2ReRu- and a molecular weight of 833.82 g/mol. Its IUPAC name is carbanide;diphenylphosphaniumylmethyl(diphenyl)phosphanium;methanone;rhenium;ruthenium(3+).

Molecular Properties

Compound Namecarbanide;diphenylphosphaniumylmethyl(diphenyl)phosphanium;methanone;rhenium;ruthenium(3+)
PubChem CID162398575
Molecular FormulaC31H32O5P2ReRu-
Molecular Weight833.82 g/mol
Exact Mass835.03
IUPAC Namecarbanide;diphenylphosphaniumylmethyl(diphenyl)phosphanium;methanone;rhenium;ruthenium(3+)
SMILES[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[Re].[Ru+3].c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P2.5CHO.CH3.Re.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;5*1-2;;;/h1-20H,21H2;5*1H;1H3;;/q;6*-1;;+3/p+2
InChIKeySHBUVSHCKJENCP-UHFFFAOYSA-P
XLogP3.75
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500833.82
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 6390174
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methanone;rhodium(2+);bis(triphenylphosphanium);chloride
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CID 168729147
bis(9H-anthracen-9-ide);diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(gold(1+))
CID 162499550
carbanide;[diphenylphosphaniumylmethyl(methyl)amino]methyl-diphenylphosphanium;palladium(2+)
CID 134971058
chlororuthenium;cyclopenta-1,3-diene;dichloroplatinum;diphenylphosphaniumylmethyl(diphenyl)phosphanium;triphenylphosphanium
CID 42620755
CID 6397995
CID 6397995
diphenylphosphaniumylmethyl(diphenyl)phosphanium;5H-inden-5-ide;ruthenium
CID 18503261
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CID 87436309

Frequently Asked Questions

What is the IUPAC name of carbanide;diphenylphosphaniumylmethyl(diphenyl)phosphanium;methanone;rhenium;ruthenium(3+)?
The IUPAC name of carbanide;diphenylphosphaniumylmethyl(diphenyl)phosphanium;methanone;rhenium;ruthenium(3+) (CID 162398575) is carbanide;diphenylphosphaniumylmethyl(diphenyl)phosphanium;methanone;rhenium;ruthenium(3+).
What is the SMILES notation for carbanide;diphenylphosphaniumylmethyl(diphenyl)phosphanium;methanone;rhenium;ruthenium(3+)?
The canonical SMILES for carbanide;diphenylphosphaniumylmethyl(diphenyl)phosphanium;methanone;rhenium;ruthenium(3+) is [CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[Re].[Ru+3].c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of carbanide;diphenylphosphaniumylmethyl(diphenyl)phosphanium;methanone;rhenium;ruthenium(3+)?
The InChIKey is SHBUVSHCKJENCP-UHFFFAOYSA-P. The full InChI is InChI=1S/C25H22P2.5CHO.CH3.Re.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;5*1-2;;;/h1-20H,21H2;5*1H;1H3;;/q;6*-1;;+3/p+2.
What are the key properties of carbanide;diphenylphosphaniumylmethyl(diphenyl)phosphanium;methanone;rhenium;ruthenium(3+)?
carbanide;diphenylphosphaniumylmethyl(diphenyl)phosphanium;methanone;rhenium;ruthenium(3+) has a molecular weight of 833.82 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;diphenylphosphaniumylmethyl(diphenyl)phosphanium;methanone;rhenium;ruthenium(3+) is sourced from PubChem (CID 162398575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).