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(2,6-dimethylbenzenethiolate);methane;molecular hydrogen

C79H102Cl3KN4O2Ru2S2-3 — CID 160794293

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(2,6-dimethylbenzenethiolate);methane;molecular hydrogen

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(2,6-dimethylbenzenethiolate);methane;molecular hydrogen (PubChem CID 160794293) has the molecular formula C79H102Cl3KN4O2Ru2S2-3 and a molecular weight of 1551.44 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(2,6-dimethylbenzenethiolate);methane;molecular hydrogen.

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(2,6-dimethylbenzenethiolate);methane;molecular hydrogen
• PubChem CID: 160794293
• Molecular Formula: C79H102Cl3KN4O2Ru2S2-3
• Molecular Weight: 1551.44 g/mol
• Exact Mass: 1550.43
• 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(2,6-dimethylbenzenethiolate);methane;molecular hydrogen
• SMILES: C.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.Cc1cccc(C)c1[S-].Cc1cccc(C)c1[S-].[H][H].[K+]
• InChI: InChI=1S/2C21H27N2.2C10H12O.2C8H10S.CH4.3ClH.K.2Ru.H2/c2*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;2*1-6-4-3-5-7(2)8(6)9;;;;;;;;/h2*9-13H,7-8H2,1-6H3;2*3-8H,1-2H3;2*3-5,9H,1-2H3;1H4;3*1H;;;;1H/q2*-1;;;;;;;;;2*+1;+2;/p-5
• InChIKey: YUUWGNGKZSXADY-UHFFFAOYSA-I
• XLogP: 18.68
• TPSA: 31.42 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1551.44
LogP ≤ 5	18.68
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(2,6-dimethylbenzenethiolate);methane;molecular hydrogen?

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(2,6-dimethylbenzenethiolate);methane;molecular hydrogen (CID 160794293) 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(2,6-dimethylbenzenethiolate);methane;molecular hydrogen.

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(2,6-dimethylbenzenethiolate);methane;molecular hydrogen?

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(2,6-dimethylbenzenethiolate);methane;molecular hydrogen is C.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.Cc1cccc(C)c1[S-].Cc1cccc(C)c1[S-].[H][H].[K+].

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(2,6-dimethylbenzenethiolate);methane;molecular hydrogen?

The InChIKey is YUUWGNGKZSXADY-UHFFFAOYSA-I. The full InChI is InChI=1S/2C21H27N2.2C10H12O.2C8H10S.CH4.3ClH.K.2Ru.H2/c2*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;2*1-6-4-3-5-7(2)8(6)9;;;;;;;;/h2*9-13H,7-8H2,1-6H3;2*3-8H,1-2H3;2*3-5,9H,1-2H3;1H4;3*1H;;;;1H/q2*-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(2,6-dimethylbenzenethiolate);methane;molecular hydrogen?

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(2,6-dimethylbenzenethiolate);methane;molecular hydrogen has a molecular weight of 1551.44 g/mol, XLogP of 18.68, 10 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(2,6-dimethylbenzenethiolate);methane;molecular hydrogen is sourced from PubChem (CID 160794293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).