dichloro-[[3-propan-2-yloxy-4-(2-propan-2-yloxynaphthalen-1-yl)naphthalen-2-yl]methylidene]ruthenium;1-(2,4-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide

C47H51Cl2N2O2Ru- — CID 59516388

About dichloro-[[3-propan-2-yloxy-4-(2-propan-2-yloxynaphthalen-1-yl)naphthalen-2-yl]methylidene]ruthenium;1-(2,4-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide

dichloro-[[3-propan-2-yloxy-4-(2-propan-2-yloxynaphthalen-1-yl)naphthalen-2-yl]methylidene]ruthenium;1-(2,4-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide (PubChem CID 59516388) has the molecular formula C47H51Cl2N2O2Ru- and a molecular weight of 847.91 g/mol. Its IUPAC name is dichloro-[[3-propan-2-yloxy-4-(2-propan-2-yloxynaphthalen-1-yl)naphthalen-2-yl]methylidene]ruthenium;1-(2,4-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide.

Molecular Properties

• Compound Name: dichloro-[[3-propan-2-yloxy-4-(2-propan-2-yloxynaphthalen-1-yl)naphthalen-2-yl]methylidene]ruthenium;1-(2,4-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide
• PubChem CID: 59516388
• Molecular Formula: C47H51Cl2N2O2Ru-
• Molecular Weight: 847.91 g/mol
• Exact Mass: 847.24
• IUPAC Name: dichloro-[[3-propan-2-yloxy-4-(2-propan-2-yloxynaphthalen-1-yl)naphthalen-2-yl]methylidene]ruthenium;1-(2,4-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide
• SMILES: CC(C)Oc1ccc2ccccc2c1-c1c(OC(C)C)c(C=[Ru](Cl)Cl)cc2ccccc12.Cc1ccc(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1
• InChI: InChI=1S/C27H26O2.C20H25N2.2ClH.Ru/c1-17(2)28-24-15-14-20-10-6-8-12-22(20)25(24)26-23-13-9-7-11-21(23)16-19(5)27(26)29-18(3)4;1-14-6-7-19(16(3)10-14)21-8-9-22(13-21)20-17(4)11-15(2)12-18(20)5;;;/h5-18H,1-4H3;6-7,10-13H,8-9H2,1-5H3;2*1H;/q;-1;;;+2/p-2
• InChIKey: RVKLVEQIABCPAZ-UHFFFAOYSA-L
• XLogP: 12.99
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	847.91
LogP ≤ 5	12.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dichloro-[[3-propan-2-yloxy-4-(2-propan-2-yloxynaphthalen-1-yl)naphthalen-2-yl]methylidene]ruthenium;1-(2,4-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide?

The IUPAC name of dichloro-[[3-propan-2-yloxy-4-(2-propan-2-yloxynaphthalen-1-yl)naphthalen-2-yl]methylidene]ruthenium;1-(2,4-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide (CID 59516388) is dichloro-[[3-propan-2-yloxy-4-(2-propan-2-yloxynaphthalen-1-yl)naphthalen-2-yl]methylidene]ruthenium;1-(2,4-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide.

What is the SMILES notation for dichloro-[[3-propan-2-yloxy-4-(2-propan-2-yloxynaphthalen-1-yl)naphthalen-2-yl]methylidene]ruthenium;1-(2,4-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide?

The canonical SMILES for dichloro-[[3-propan-2-yloxy-4-(2-propan-2-yloxynaphthalen-1-yl)naphthalen-2-yl]methylidene]ruthenium;1-(2,4-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide is CC(C)Oc1ccc2ccccc2c1-c1c(OC(C)C)c(C=[Ru](Cl)Cl)cc2ccccc12.Cc1ccc(N2[CH-]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.

What is the InChIKey of dichloro-[[3-propan-2-yloxy-4-(2-propan-2-yloxynaphthalen-1-yl)naphthalen-2-yl]methylidene]ruthenium;1-(2,4-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide?

The InChIKey is RVKLVEQIABCPAZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C27H26O2.C20H25N2.2ClH.Ru/c1-17(2)28-24-15-14-20-10-6-8-12-22(20)25(24)26-23-13-9-7-11-21(23)16-19(5)27(26)29-18(3)4;1-14-6-7-19(16(3)10-14)21-8-9-22(13-21)20-17(4)11-15(2)12-18(20)5;;;/h5-18H,1-4H3;6-7,10-13H,8-9H2,1-5H3;2*1H;/q;-1;;;+2/p-2.

What are the key properties of dichloro-[[3-propan-2-yloxy-4-(2-propan-2-yloxynaphthalen-1-yl)naphthalen-2-yl]methylidene]ruthenium;1-(2,4-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide?

dichloro-[[3-propan-2-yloxy-4-(2-propan-2-yloxynaphthalen-1-yl)naphthalen-2-yl]methylidene]ruthenium;1-(2,4-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide has a molecular weight of 847.91 g/mol, XLogP of 12.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for dichloro-[[3-propan-2-yloxy-4-(2-propan-2-yloxynaphthalen-1-yl)naphthalen-2-yl]methylidene]ruthenium;1-(2,4-dimethylphenyl)-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide is sourced from PubChem (CID 59516388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).