benzylidene(dichloro)ruthenium;1,3-bis(3,5-ditert-butylphenyl)imidazolidin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[(2-propan-2-yloxoniophenyl)methylidene]ruthenium;bis(tricyclohexylphosphanium)

C118H187Cl6N4OP2Ru3- — CID 162260168

About benzylidene(dichloro)ruthenium;1,3-bis(3,5-ditert-butylphenyl)imidazolidin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[(2-propan-2-yloxoniophenyl)methylidene]ruthenium;bis(tricyclohexylphosphanium)

benzylidene(dichloro)ruthenium;1,3-bis(3,5-ditert-butylphenyl)imidazolidin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[(2-propan-2-yloxoniophenyl)methylidene]ruthenium;bis(tricyclohexylphosphanium) (PubChem CID 162260168) has the molecular formula C118H187Cl6N4OP2Ru3- and a molecular weight of 2255.70 g/mol. Its IUPAC name is benzylidene(dichloro)ruthenium;1,3-bis(3,5-ditert-butylphenyl)imidazolidin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[(2-propan-2-yloxoniophenyl)methylidene]ruthenium;bis(tricyclohexylphosphanium).

Molecular Properties

• Compound Name: benzylidene(dichloro)ruthenium;1,3-bis(3,5-ditert-butylphenyl)imidazolidin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[(2-propan-2-yloxoniophenyl)methylidene]ruthenium;bis(tricyclohexylphosphanium)
• PubChem CID: 162260168
• Molecular Formula: C118H187Cl6N4OP2Ru3-
• Molecular Weight: 2255.70 g/mol
• Exact Mass: 2253.94
• IUPAC Name: benzylidene(dichloro)ruthenium;1,3-bis(3,5-ditert-butylphenyl)imidazolidin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[(2-propan-2-yloxoniophenyl)methylidene]ruthenium;bis(tricyclohexylphosphanium)
• SMILES: C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)(C)c1cc(N2[CH-]N(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)CC2)cc(C(C)(C)C)c1.CC(C)=CC=[Ru](Cl)Cl.CC(C)[OH+]c1ccccc1C=[Ru](Cl)Cl.CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)CC1.Cl[Ru](Cl)=Cc1ccccc1.[CH3-].[CH3-]
• InChI: InChI=1S/C31H47N2.C27H39N2.2C18H33P.C10H12O.C7H6.C5H8.2CH3.6ClH.3Ru/c1-28(2,3)22-15-23(29(4,5)6)18-26(17-22)32-13-14-33(21-32)27-19-24(30(7,8)9)16-25(20-27)31(10,11)12;1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(2)11-10-7-5-4-6-9(10)3;1-7-5-3-2-4-6-7;1-4-5(2)3;;;;;;;;;;;/h15-21H,13-14H2,1-12H3;9-14,17-21H,15-16H2,1-8H3;2*16-18H,1-15H2;3-8H,1-2H3;1-6H;1,4H,2-3H3;2*1H3;6*1H;;;/q2*-1;;;;;;2*-1;;;;;;;3*+2/p-3
• InChIKey: MUAUXTWFFLFIAB-UHFFFAOYSA-K
• XLogP: 38.10
• TPSA: 25.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 19
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2255.70
LogP ≤ 5	38.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzylidene(dichloro)ruthenium;1,3-bis(3,5-ditert-butylphenyl)imidazolidin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[(2-propan-2-yloxoniophenyl)methylidene]ruthenium;bis(tricyclohexylphosphanium)?

The IUPAC name of benzylidene(dichloro)ruthenium;1,3-bis(3,5-ditert-butylphenyl)imidazolidin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[(2-propan-2-yloxoniophenyl)methylidene]ruthenium;bis(tricyclohexylphosphanium) (CID 162260168) is benzylidene(dichloro)ruthenium;1,3-bis(3,5-ditert-butylphenyl)imidazolidin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[(2-propan-2-yloxoniophenyl)methylidene]ruthenium;bis(tricyclohexylphosphanium).

What is the SMILES notation for benzylidene(dichloro)ruthenium;1,3-bis(3,5-ditert-butylphenyl)imidazolidin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[(2-propan-2-yloxoniophenyl)methylidene]ruthenium;bis(tricyclohexylphosphanium)?

The canonical SMILES for benzylidene(dichloro)ruthenium;1,3-bis(3,5-ditert-butylphenyl)imidazolidin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[(2-propan-2-yloxoniophenyl)methylidene]ruthenium;bis(tricyclohexylphosphanium) is C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1.CC(C)(C)c1cc(N2[CH-]N(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)CC2)cc(C(C)(C)C)c1.CC(C)=CC=[Ru](Cl)Cl.CC(C)[OH+]c1ccccc1C=[Ru](Cl)Cl.CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)CC1.Cl[Ru](Cl)=Cc1ccccc1.[CH3-].[CH3-].

What is the InChIKey of benzylidene(dichloro)ruthenium;1,3-bis(3,5-ditert-butylphenyl)imidazolidin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[(2-propan-2-yloxoniophenyl)methylidene]ruthenium;bis(tricyclohexylphosphanium)?

The InChIKey is MUAUXTWFFLFIAB-UHFFFAOYSA-K. The full InChI is InChI=1S/C31H47N2.C27H39N2.2C18H33P.C10H12O.C7H6.C5H8.2CH3.6ClH.3Ru/c1-28(2,3)22-15-23(29(4,5)6)18-26(17-22)32-13-14-33(21-32)27-19-24(30(7,8)9)16-25(20-27)31(10,11)12;1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(2)11-10-7-5-4-6-9(10)3;1-7-5-3-2-4-6-7;1-4-5(2)3;;;;;;;;;;;/h15-21H,13-14H2,1-12H3;9-14,17-21H,15-16H2,1-8H3;2*16-18H,1-15H2;3-8H,1-2H3;1-6H;1,4H,2-3H3;2*1H3;6*1H;;;/q2*-1;;;;;;2*-1;;;;;;;3*+2/p-3.

What are the key properties of benzylidene(dichloro)ruthenium;1,3-bis(3,5-ditert-butylphenyl)imidazolidin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[(2-propan-2-yloxoniophenyl)methylidene]ruthenium;bis(tricyclohexylphosphanium)?

benzylidene(dichloro)ruthenium;1,3-bis(3,5-ditert-butylphenyl)imidazolidin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[(2-propan-2-yloxoniophenyl)methylidene]ruthenium;bis(tricyclohexylphosphanium) has a molecular weight of 2255.70 g/mol, XLogP of 38.10, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for benzylidene(dichloro)ruthenium;1,3-bis(3,5-ditert-butylphenyl)imidazolidin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;carbanide;dichloro(3-methylbut-2-enylidene)ruthenium;dichloro-[(2-propan-2-yloxoniophenyl)methylidene]ruthenium;bis(tricyclohexylphosphanium) is sourced from PubChem (CID 162260168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).