dichloro(phenylselanylmethylidene)ruthenium;bis(tricyclohexylphosphanium)

C43H74Cl2P2RuSe+2 — CID 134975143

IUPACdichloro(phenylselanylmethylidene)ruthenium;bis(tricyclohexylphosphanium)
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.Cl[Ru](Cl)=C[Se]c1ccccc1
InChIInChI=1S/2C18H33P.C7H6Se.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8-7-5-3-2-4-6-7;;;/h2*16-18H,1-15H2;1-6H;2*1H;/q;;;;;+2
InChIKeyQBGBEFJOSOSCDE-UHFFFAOYSA-N
MW903.95 g/mol
LogP14.10
Rot. Bonds8

About dichloro(phenylselanylmethylidene)ruthenium;bis(tricyclohexylphosphanium)

dichloro(phenylselanylmethylidene)ruthenium;bis(tricyclohexylphosphanium) (PubChem CID 134975143) has the molecular formula C43H74Cl2P2RuSe+2 and a molecular weight of 903.95 g/mol. Its IUPAC name is dichloro(phenylselanylmethylidene)ruthenium;bis(tricyclohexylphosphanium).

Molecular Properties

Compound Namedichloro(phenylselanylmethylidene)ruthenium;bis(tricyclohexylphosphanium)
PubChem CID134975143
Molecular FormulaC43H74Cl2P2RuSe+2
Molecular Weight903.95 g/mol
Exact Mass904.28
IUPAC Namedichloro(phenylselanylmethylidene)ruthenium;bis(tricyclohexylphosphanium)
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.Cl[Ru](Cl)=C[Se]c1ccccc1
InChIInChI=1S/2C18H33P.C7H6Se.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8-7-5-3-2-4-6-7;;;/h2*16-18H,1-15H2;1-6H;2*1H;/q;;;;;+2
InChIKeyQBGBEFJOSOSCDE-UHFFFAOYSA-N
XLogP14.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.95
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzylidene(dichloro)ruthenium;carbanide;tricyclohexylphosphanium
CID 22899065
dichloro(2-phenylethylidene)ruthenium;tricyclohexylphosphanium
CID 87671530
benzylidene(dichloro)ruthenium;bis(dicyclohexyl-(1,1-dimethylpiperidin-1-ium-4-yl)phosphanium)
CID 20682587
benzylidene(dichloro)ruthenium;2,5-bis(2,4,6-trimethylphenyl)pyrrolidin-1-ide;tricyclohexylphosphanium
CID 59656595
dichloro(methylidene)ruthenium;bis(tricyclohexylphosphanium)
CID 23520456
benzylidene(dichloro)ruthenium;1,3-dipropylimidazolidin-2-ide;tricyclohexylphosphanium
CID 58905757
carbanide;chloro-[(2-hydroxyphenyl)methylidene]ruthenium;tricyclohexylphosphanium
CID 159473860
[2-[[benzyl(methyl)amino]methyl]phenyl]methylidene-dichlororuthenium;tricyclohexylphosphanium
CID 162458941
benzylidene(dichloro)ruthenium;2-methanidyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidine;tricyclohexylphosphanium
CID 59130198
benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;methane;tricyclohexylphosphanium
CID 161205755
dichloro(quinolin-8-ylmethylidene)ruthenium;tricyclohexylphosphanium
CID 140600636
1-chloro-2-phenylselanylcyclododecane
CID 12550112

Frequently Asked Questions

What is the IUPAC name of dichloro(phenylselanylmethylidene)ruthenium;bis(tricyclohexylphosphanium)?
The IUPAC name of dichloro(phenylselanylmethylidene)ruthenium;bis(tricyclohexylphosphanium) (CID 134975143) is dichloro(phenylselanylmethylidene)ruthenium;bis(tricyclohexylphosphanium).
What is the SMILES notation for dichloro(phenylselanylmethylidene)ruthenium;bis(tricyclohexylphosphanium)?
The canonical SMILES for dichloro(phenylselanylmethylidene)ruthenium;bis(tricyclohexylphosphanium) is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.Cl[Ru](Cl)=C[Se]c1ccccc1.
What is the InChIKey of dichloro(phenylselanylmethylidene)ruthenium;bis(tricyclohexylphosphanium)?
The InChIKey is QBGBEFJOSOSCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H33P.C7H6Se.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8-7-5-3-2-4-6-7;;;/h2*16-18H,1-15H2;1-6H;2*1H;/q;;;;;+2.
What are the key properties of dichloro(phenylselanylmethylidene)ruthenium;bis(tricyclohexylphosphanium)?
dichloro(phenylselanylmethylidene)ruthenium;bis(tricyclohexylphosphanium) has a molecular weight of 903.95 g/mol, XLogP of 14.10, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(phenylselanylmethylidene)ruthenium;bis(tricyclohexylphosphanium) is sourced from PubChem (CID 134975143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).