benzylidene(dichloro)ruthenium;2,5-bis(2,4,6-trimethylphenyl)pyrrolidin-1-ide;tricyclohexylphosphanium

C47H68Cl2NPRu — CID 59656595

IUPACbenzylidene(dichloro)ruthenium;2,5-bis(2,4,6-trimethylphenyl)pyrrolidin-1-ide;tricyclohexylphosphanium
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.Cc1cc(C)c(C2CCC(c3c(C)cc(C)cc3C)[N-]2)c(C)c1.Cl[Ru](Cl)=Cc1ccccc1
InChIInChI=1S/C22H28N.C18H33P.C7H6.2ClH.Ru/c1-13-9-15(3)21(16(4)10-13)19-7-8-20(23-19)22-17(5)11-14(2)12-18(22)6;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;;/h9-12,19-20H,7-8H2,1-6H3;16-18H,1-15H2;1-6H;2*1H;/q-1;;;;;+2/p-1
InChIKeyAPTSYIWZYZAYIZ-UHFFFAOYSA-M
MW850.02 g/mol
LogP15.45
Rot. Bonds6

About benzylidene(dichloro)ruthenium;2,5-bis(2,4,6-trimethylphenyl)pyrrolidin-1-ide;tricyclohexylphosphanium

benzylidene(dichloro)ruthenium;2,5-bis(2,4,6-trimethylphenyl)pyrrolidin-1-ide;tricyclohexylphosphanium (PubChem CID 59656595) has the molecular formula C47H68Cl2NPRu and a molecular weight of 850.02 g/mol. Its IUPAC name is benzylidene(dichloro)ruthenium;2,5-bis(2,4,6-trimethylphenyl)pyrrolidin-1-ide;tricyclohexylphosphanium.

Molecular Properties

Compound Namebenzylidene(dichloro)ruthenium;2,5-bis(2,4,6-trimethylphenyl)pyrrolidin-1-ide;tricyclohexylphosphanium
PubChem CID59656595
Molecular FormulaC47H68Cl2NPRu
Molecular Weight850.02 g/mol
Exact Mass849.35
IUPAC Namebenzylidene(dichloro)ruthenium;2,5-bis(2,4,6-trimethylphenyl)pyrrolidin-1-ide;tricyclohexylphosphanium
SMILESC1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.Cc1cc(C)c(C2CCC(c3c(C)cc(C)cc3C)[N-]2)c(C)c1.Cl[Ru](Cl)=Cc1ccccc1
InChIInChI=1S/C22H28N.C18H33P.C7H6.2ClH.Ru/c1-13-9-15(3)21(16(4)10-13)19-7-8-20(23-19)22-17(5)11-14(2)12-18(22)6;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;;/h9-12,19-20H,7-8H2,1-6H3;16-18H,1-15H2;1-6H;2*1H;/q-1;;;;;+2/p-1
InChIKeyAPTSYIWZYZAYIZ-UHFFFAOYSA-M
XLogP15.45
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.02
LogP ≤ 515.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze benzylidene(dichloro)ruthenium;2,5-bis(2,4,6-trimethylphenyl)pyrrolidin-1-ide;tricyclohexylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzylidene(dichloro)ruthenium;2-methanidyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidine;tricyclohexylphosphanium
CID 59130198
benzylidene(dichloro)ruthenium;carbanide;tricyclohexylphosphanium
CID 22899065
benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;methane;tricyclohexylphosphanium
CID 161205755
benzylidene-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichlororuthenium;benzylidene(dichloro)ruthenium;tris(tricyclohexylphosphanium)
CID 162127718
benzylidene(dichloro)ruthenium;bis(dicyclohexyl-(1,1-dimethylpiperidin-1-ium-4-yl)phosphanium)
CID 20682587
benzylidene(dichloro)ruthenium;1,3-dipropylimidazolidin-2-ide;tricyclohexylphosphanium
CID 58905757
benzylidene(dichloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-2-ide;carbanide
CID 21029728
benzylidene(dichloro)ruthenium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chlorocopper;dichloro-[(N-methylsulfonylanilino)methylidene]ruthenium;N-ethenyl-N-phenylmethanesulfonamide;tricyclohexylphosphanium
CID 160794284
CID 134991798
CID 134991798
benzylidene(dichloro)ruthenium;4,5-dimethyl-3-[(1R,4S)-2,4,6-trimethylcyclohex-2-en-1-yl]-2H-1,3-thiazol-2-ide;tricyclohexylphosphanium
CID 59364894
benzylidene(dichloro)ruthenium;bis(dichloro(quinolin-8-ylmethylidene)ruthenium);8-ethenylquinoline;tricyclohexylphosphanium;tris(1-(2,4,6-trimethylphenyl)pyrrolidin-5-ide)
CID 159486981
dipotassium;tetrakis(benzylidene(dichloro)ruthenium);carbanide;tetrakis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)-2H-imidazol-2-ide);bis(1-(4-methoxy-2,6-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazol-3-ium);bis(2-methylpropan-2-olate);tris(tricyclohexylphosphanium);dichloride
CID 161128119

Frequently Asked Questions

What is the IUPAC name of benzylidene(dichloro)ruthenium;2,5-bis(2,4,6-trimethylphenyl)pyrrolidin-1-ide;tricyclohexylphosphanium?
The IUPAC name of benzylidene(dichloro)ruthenium;2,5-bis(2,4,6-trimethylphenyl)pyrrolidin-1-ide;tricyclohexylphosphanium (CID 59656595) is benzylidene(dichloro)ruthenium;2,5-bis(2,4,6-trimethylphenyl)pyrrolidin-1-ide;tricyclohexylphosphanium.
What is the SMILES notation for benzylidene(dichloro)ruthenium;2,5-bis(2,4,6-trimethylphenyl)pyrrolidin-1-ide;tricyclohexylphosphanium?
The canonical SMILES for benzylidene(dichloro)ruthenium;2,5-bis(2,4,6-trimethylphenyl)pyrrolidin-1-ide;tricyclohexylphosphanium is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.Cc1cc(C)c(C2CCC(c3c(C)cc(C)cc3C)[N-]2)c(C)c1.Cl[Ru](Cl)=Cc1ccccc1.
What is the InChIKey of benzylidene(dichloro)ruthenium;2,5-bis(2,4,6-trimethylphenyl)pyrrolidin-1-ide;tricyclohexylphosphanium?
The InChIKey is APTSYIWZYZAYIZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H28N.C18H33P.C7H6.2ClH.Ru/c1-13-9-15(3)21(16(4)10-13)19-7-8-20(23-19)22-17(5)11-14(2)12-18(22)6;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;;/h9-12,19-20H,7-8H2,1-6H3;16-18H,1-15H2;1-6H;2*1H;/q-1;;;;;+2/p-1.
What are the key properties of benzylidene(dichloro)ruthenium;2,5-bis(2,4,6-trimethylphenyl)pyrrolidin-1-ide;tricyclohexylphosphanium?
benzylidene(dichloro)ruthenium;2,5-bis(2,4,6-trimethylphenyl)pyrrolidin-1-ide;tricyclohexylphosphanium has a molecular weight of 850.02 g/mol, XLogP of 15.45, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzylidene(dichloro)ruthenium;2,5-bis(2,4,6-trimethylphenyl)pyrrolidin-1-ide;tricyclohexylphosphanium is sourced from PubChem (CID 59656595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).