[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-tetrafluorosilanuide;toluene

C41H52F4N2Si — CID 139102233

About [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-tetrafluorosilanuide;toluene

[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-tetrafluorosilanuide;toluene (PubChem CID 139102233) has the molecular formula C41H52F4N2Si and a molecular weight of 676.96 g/mol. Its IUPAC name is [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-tetrafluorosilanuide;toluene.

Molecular Properties

• Compound Name: [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-tetrafluorosilanuide;toluene
• PubChem CID: 139102233
• Molecular Formula: C41H52F4N2Si
• Molecular Weight: 676.96 g/mol
• Exact Mass: 676.38
• IUPAC Name: [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-tetrafluorosilanuide;toluene
• SMILES: CC(C)c1cccc(C(C)C)c1-n1cc[n+](-c2c(C(C)C)cccc2C(C)C)c1[Si-](F)(F)(F)F.Cc1ccccc1.Cc1ccccc1
• InChI: InChI=1S/C27H36F4N2Si.2C7H8/c1-17(2)21-11-9-12-22(18(3)4)25(21)32-15-16-33(27(32)34(28,29,30)31)26-23(19(5)6)13-10-14-24(26)20(7)8;2*1-7-5-3-2-4-6-7/h9-20H,1-8H3;2*2-6H,1H3
• InChIKey: LCQBAEOKZLNVTD-UHFFFAOYSA-N
• XLogP: 11.71
• TPSA: 8.81 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.96
LogP ≤ 5	11.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-tetrafluorosilanuide;toluene?

The IUPAC name of [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-tetrafluorosilanuide;toluene (CID 139102233) is [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-tetrafluorosilanuide;toluene.

What is the SMILES notation for [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-tetrafluorosilanuide;toluene?

The canonical SMILES for [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-tetrafluorosilanuide;toluene is CC(C)c1cccc(C(C)C)c1-n1cc[n+](-c2c(C(C)C)cccc2C(C)C)c1[Si-](F)(F)(F)F.Cc1ccccc1.Cc1ccccc1.

What is the InChIKey of [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-tetrafluorosilanuide;toluene?

The InChIKey is LCQBAEOKZLNVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36F4N2Si.2C7H8/c1-17(2)21-11-9-12-22(18(3)4)25(21)32-15-16-33(27(32)34(28,29,30)31)26-23(19(5)6)13-10-14-24(26)20(7)8;2*1-7-5-3-2-4-6-7/h9-20H,1-8H3;2*2-6H,1H3.

What are the key properties of [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-tetrafluorosilanuide;toluene?

[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-tetrafluorosilanuide;toluene has a molecular weight of 676.96 g/mol, XLogP of 11.71, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-tetrafluorosilanuide;toluene is sourced from PubChem (CID 139102233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).