benzylidene(chloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;carbanide;dichloro-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;diphenyl(pyridin-2-yl)methanol;tricyclohexylphosphanium

C100H125Cl7N4O3PRu4-2 — CID 159835528

About benzylidene(chloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;carbanide;dichloro-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;diphenyl(pyridin-2-yl)methanol;tricyclohexylphosphanium

benzylidene(chloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;carbanide;dichloro-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;diphenyl(pyridin-2-yl)methanol;tricyclohexylphosphanium (PubChem CID 159835528) has the molecular formula C100H125Cl7N4O3PRu4-2 and a molecular weight of 2114.55 g/mol. Its IUPAC name is benzylidene(chloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;carbanide;dichloro-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;diphenyl(pyridin-2-yl)methanol;tricyclohexylphosphanium.

Molecular Properties

• Compound Name: benzylidene(chloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;carbanide;dichloro-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;diphenyl(pyridin-2-yl)methanol;tricyclohexylphosphanium
• PubChem CID: 159835528
• Molecular Formula: C100H125Cl7N4O3PRu4-2
• Molecular Weight: 2114.55 g/mol
• Exact Mass: 2113.35
• IUPAC Name: benzylidene(chloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;carbanide;dichloro-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;diphenyl(pyridin-2-yl)methanol;tricyclohexylphosphanium
• SMILES: C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)Oc1c(C=[Ru](Cl)Cl)cccc1-c1ccccc1.CC(C)Oc1ccccc1C=[Ru](Cl)Cl.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cl/[Ru]=C/c1ccccc1.Cl[Ru](Cl)=CCCc1ccccn1.OC(c1ccccc1)(c1ccccc1)c1ccccn1.[CH3-].[CH3-]
• InChI: InChI=1S/C21H27N2.C18H15NO.C18H33P.C16H16O.C10H12O.C8H9N.C7H6.2CH3.7ClH.4Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;20-18(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-19-17;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-12(2)17-16-13(3)8-7-11-15(16)14-9-5-4-6-10-14;1-8(2)11-10-7-5-4-6-9(10)3;1-2-5-8-6-3-4-7-9-8;1-7-5-3-2-4-6-7;;;;;;;;;;;;;/h9-13H,7-8H2,1-6H3;1-14,20H;16-18H,1-15H2;3-12H,1-2H3;3-8H,1-2H3;1,3-4,6-7H,2,5H2;1-6H;2*1H3;7*1H;;;;/q-1;;;;;;;2*-1;;;;;;;;+1;3*+2/p-6
• InChIKey: FBFFQNYDSZFMOY-UHFFFAOYSA-H
• XLogP: 29.03
• TPSA: 70.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2114.55
LogP ≤ 5	29.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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(chloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;carbanide;dichloro-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;diphenyl(pyridin-2-yl)methanol;tricyclohexylphosphanium?

The IUPAC name of benzylidene(chloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;carbanide;dichloro-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;diphenyl(pyridin-2-yl)methanol;tricyclohexylphosphanium (CID 159835528) is benzylidene(chloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;carbanide;dichloro-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;diphenyl(pyridin-2-yl)methanol;tricyclohexylphosphanium.

What is the SMILES notation for benzylidene(chloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;carbanide;dichloro-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;diphenyl(pyridin-2-yl)methanol;tricyclohexylphosphanium?

The canonical SMILES for benzylidene(chloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;carbanide;dichloro-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;diphenyl(pyridin-2-yl)methanol;tricyclohexylphosphanium is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)Oc1c(C=[Ru](Cl)Cl)cccc1-c1ccccc1.CC(C)Oc1ccccc1C=[Ru](Cl)Cl.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cl/[Ru]=C/c1ccccc1.Cl[Ru](Cl)=CCCc1ccccn1.OC(c1ccccc1)(c1ccccc1)c1ccccn1.[CH3-].[CH3-].

What is the InChIKey of benzylidene(chloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;carbanide;dichloro-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;diphenyl(pyridin-2-yl)methanol;tricyclohexylphosphanium?

The InChIKey is FBFFQNYDSZFMOY-UHFFFAOYSA-H. The full InChI is InChI=1S/C21H27N2.C18H15NO.C18H33P.C16H16O.C10H12O.C8H9N.C7H6.2CH3.7ClH.4Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;20-18(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-19-17;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-12(2)17-16-13(3)8-7-11-15(16)14-9-5-4-6-10-14;1-8(2)11-10-7-5-4-6-9(10)3;1-2-5-8-6-3-4-7-9-8;1-7-5-3-2-4-6-7;;;;;;;;;;;;;/h9-13H,7-8H2,1-6H3;1-14,20H;16-18H,1-15H2;3-12H,1-2H3;3-8H,1-2H3;1,3-4,6-7H,2,5H2;1-6H;2*1H3;7*1H;;;;/q-1;;;;;;;2*-1;;;;;;;;+1;3*+2/p-6.

What are the key properties of benzylidene(chloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;carbanide;dichloro-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;diphenyl(pyridin-2-yl)methanol;tricyclohexylphosphanium?

benzylidene(chloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;carbanide;dichloro-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;diphenyl(pyridin-2-yl)methanol;tricyclohexylphosphanium has a molecular weight of 2114.55 g/mol, XLogP of 29.03, 19 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for benzylidene(chloro)ruthenium;1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;carbanide;dichloro-[(3-phenyl-2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro(3-pyridin-2-ylpropylidene)ruthenium;diphenyl(pyridin-2-yl)methanol;tricyclohexylphosphanium is sourced from PubChem (CID 159835528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).