benzylidene(dichloro)ruthenium;carbanide;tris(dichloro(3-methylbut-2-enylidene)ruthenium);dichloro(phenylsulfanylmethylidene)ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(tricyclohexylphosphanium)

C82H140Cl12NP2Ru6S-7 — CID 162258654

About benzylidene(dichloro)ruthenium;carbanide;tris(dichloro(3-methylbut-2-enylidene)ruthenium);dichloro(phenylsulfanylmethylidene)ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(tricyclohexylphosphanium)

benzylidene(dichloro)ruthenium;carbanide;tris(dichloro(3-methylbut-2-enylidene)ruthenium);dichloro(phenylsulfanylmethylidene)ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(tricyclohexylphosphanium) (PubChem CID 162258654) has the molecular formula C82H140Cl12NP2Ru6S-7 and a molecular weight of 2265.90 g/mol. Its IUPAC name is benzylidene(dichloro)ruthenium;carbanide;tris(dichloro(3-methylbut-2-enylidene)ruthenium);dichloro(phenylsulfanylmethylidene)ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(tricyclohexylphosphanium).

Molecular Properties

• Compound Name: benzylidene(dichloro)ruthenium;carbanide;tris(dichloro(3-methylbut-2-enylidene)ruthenium);dichloro(phenylsulfanylmethylidene)ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(tricyclohexylphosphanium)
• PubChem CID: 162258654
• Molecular Formula: C82H140Cl12NP2Ru6S-7
• Molecular Weight: 2265.90 g/mol
• Exact Mass: 2264.07
• IUPAC Name: benzylidene(dichloro)ruthenium;carbanide;tris(dichloro(3-methylbut-2-enylidene)ruthenium);dichloro(phenylsulfanylmethylidene)ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(tricyclohexylphosphanium)
• SMILES: C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)=CC=[Ru](Cl)Cl.CC(C)=CC=[Ru](Cl)Cl.CC(C)=CC=[Ru](Cl)Cl.Cl[Ru](Cl)=CCCc1ccccn1.Cl[Ru](Cl)=CSc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
• InChI: InChI=1S/2C18H33P.C8H9N.C7H6S.C7H6.3C5H8.9CH3.12ClH.6Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-5-8-6-3-4-7-9-8;1-8-7-5-3-2-4-6-7;1-7-5-3-2-4-6-7;3*1-4-5(2)3;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*16-18H,1-15H2;1,3-4,6-7H,2,5H2;1-6H;1-6H;3*1,4H,2-3H3;9*1H3;12*1H;;;;;;/q;;;;;;;;9*-1;;;;;;;;;;;;;6*+2/p-10
• InChIKey: VTPQJQOXSXZYSC-UHFFFAOYSA-D
• XLogP: 33.46
• TPSA: 12.89 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 15
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2265.90
LogP ≤ 5	33.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzylidene(dichloro)ruthenium;carbanide;tris(dichloro(3-methylbut-2-enylidene)ruthenium);dichloro(phenylsulfanylmethylidene)ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(tricyclohexylphosphanium)?

The IUPAC name of benzylidene(dichloro)ruthenium;carbanide;tris(dichloro(3-methylbut-2-enylidene)ruthenium);dichloro(phenylsulfanylmethylidene)ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(tricyclohexylphosphanium) (CID 162258654) is benzylidene(dichloro)ruthenium;carbanide;tris(dichloro(3-methylbut-2-enylidene)ruthenium);dichloro(phenylsulfanylmethylidene)ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(tricyclohexylphosphanium).

What is the SMILES notation for benzylidene(dichloro)ruthenium;carbanide;tris(dichloro(3-methylbut-2-enylidene)ruthenium);dichloro(phenylsulfanylmethylidene)ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(tricyclohexylphosphanium)?

The canonical SMILES for benzylidene(dichloro)ruthenium;carbanide;tris(dichloro(3-methylbut-2-enylidene)ruthenium);dichloro(phenylsulfanylmethylidene)ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(tricyclohexylphosphanium) is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)=CC=[Ru](Cl)Cl.CC(C)=CC=[Ru](Cl)Cl.CC(C)=CC=[Ru](Cl)Cl.Cl[Ru](Cl)=CCCc1ccccn1.Cl[Ru](Cl)=CSc1ccccc1.Cl[Ru](Cl)=Cc1ccccc1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].

What is the InChIKey of benzylidene(dichloro)ruthenium;carbanide;tris(dichloro(3-methylbut-2-enylidene)ruthenium);dichloro(phenylsulfanylmethylidene)ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(tricyclohexylphosphanium)?

The InChIKey is VTPQJQOXSXZYSC-UHFFFAOYSA-D. The full InChI is InChI=1S/2C18H33P.C8H9N.C7H6S.C7H6.3C5H8.9CH3.12ClH.6Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-5-8-6-3-4-7-9-8;1-8-7-5-3-2-4-6-7;1-7-5-3-2-4-6-7;3*1-4-5(2)3;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*16-18H,1-15H2;1,3-4,6-7H,2,5H2;1-6H;1-6H;3*1,4H,2-3H3;9*1H3;12*1H;;;;;;/q;;;;;;;;9*-1;;;;;;;;;;;;;6*+2/p-10.

What are the key properties of benzylidene(dichloro)ruthenium;carbanide;tris(dichloro(3-methylbut-2-enylidene)ruthenium);dichloro(phenylsulfanylmethylidene)ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(tricyclohexylphosphanium)?

benzylidene(dichloro)ruthenium;carbanide;tris(dichloro(3-methylbut-2-enylidene)ruthenium);dichloro(phenylsulfanylmethylidene)ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(tricyclohexylphosphanium) has a molecular weight of 2265.90 g/mol, XLogP of 33.46, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for benzylidene(dichloro)ruthenium;carbanide;tris(dichloro(3-methylbut-2-enylidene)ruthenium);dichloro(phenylsulfanylmethylidene)ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;bis(tricyclohexylphosphanium) is sourced from PubChem (CID 162258654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).