potassium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(2,4,6-triphenylbenzenethiolate)

C110H112Cl3KN4O2Ru2S2-3 — CID 159726892

About potassium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(2,4,6-triphenylbenzenethiolate)

potassium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(2,4,6-triphenylbenzenethiolate) (PubChem CID 159726892) has the molecular formula C110H112Cl3KN4O2Ru2S2-3 and a molecular weight of 1933.86 g/mol. Its IUPAC name is potassium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(2,4,6-triphenylbenzenethiolate).

Molecular Properties

• Compound Name: potassium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(2,4,6-triphenylbenzenethiolate)
• PubChem CID: 159726892
• Molecular Formula: C110H112Cl3KN4O2Ru2S2-3
• Molecular Weight: 1933.86 g/mol
• Exact Mass: 1932.50
• IUPAC Name: potassium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(2,4,6-triphenylbenzenethiolate)
• SMILES: CC(C)Oc1ccccc1/C=[Ru]\Cl.CC(C)Oc1ccccc1C=[Ru](Cl)Cl.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.[K+].[S-]c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.[S-]c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1
• InChI: InChI=1S/2C24H18S.2C21H27N2.2C10H12O.3ClH.K.2Ru/c2*25-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;2*1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;2*1-8(2)11-10-7-5-4-6-9(10)3;;;;;;/h2*1-17,25H;2*9-13H,7-8H2,1-6H3;2*3-8H,1-2H3;3*1H;;;/q;;2*-1;;;;;;2*+1;+2/p-5
• InChIKey: ULRCZCCNWFCDJC-UHFFFAOYSA-I
• XLogP: 26.57
• TPSA: 31.42 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1933.86
LogP ≤ 5	26.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(2,4,6-triphenylbenzenethiolate)?

The IUPAC name of potassium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(2,4,6-triphenylbenzenethiolate) (CID 159726892) is potassium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(2,4,6-triphenylbenzenethiolate).

What is the SMILES notation for potassium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(2,4,6-triphenylbenzenethiolate)?

The canonical SMILES for potassium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(2,4,6-triphenylbenzenethiolate) is CC(C)Oc1ccccc1/C=[Ru]\Cl.CC(C)Oc1ccccc1C=[Ru](Cl)Cl.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.Cc1cc(C)c(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.[K+].[S-]c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.[S-]c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.

What is the InChIKey of potassium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(2,4,6-triphenylbenzenethiolate)?

The InChIKey is ULRCZCCNWFCDJC-UHFFFAOYSA-I. The full InChI is InChI=1S/2C24H18S.2C21H27N2.2C10H12O.3ClH.K.2Ru/c2*25-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;2*1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;2*1-8(2)11-10-7-5-4-6-9(10)3;;;;;;/h2*1-17,25H;2*9-13H,7-8H2,1-6H3;2*3-8H,1-2H3;3*1H;;;/q;;2*-1;;;;;;2*+1;+2/p-5.

What are the key properties of potassium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(2,4,6-triphenylbenzenethiolate)?

potassium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(2,4,6-triphenylbenzenethiolate) has a molecular weight of 1933.86 g/mol, XLogP of 26.57, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;bis(1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide);chloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium;bis(2,4,6-triphenylbenzenethiolate) is sourced from PubChem (CID 159726892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).