silver;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide;difluoromethane

C28H37AgF2N2 — CID 139112648

About silver;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide;difluoromethane

silver;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide;difluoromethane (PubChem CID 139112648) has the molecular formula C28H37AgF2N2 and a molecular weight of 547.48 g/mol. Its IUPAC name is silver;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide;difluoromethane.

Molecular Properties

• Compound Name: silver;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide;difluoromethane
• PubChem CID: 139112648
• Molecular Formula: C28H37AgF2N2
• Molecular Weight: 547.48 g/mol
• Exact Mass: 546.20
• IUPAC Name: silver;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide;difluoromethane
• SMILES: CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.F[CH-]F.[Ag+]
• InChI: InChI=1S/C27H36N2.CHF2.Ag/c1-18(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;2-1-3;/h9-16,18-21H,1-8H3;1H;/q;-1;+1
• InChIKey: PXSNPWHPZIISKN-UHFFFAOYSA-N
• XLogP: 8.09
• TPSA: 8.81 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.48
LogP ≤ 5	8.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of silver;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide;difluoromethane (CID 139112648) is silver;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide;difluoromethane.

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

The canonical SMILES for silver;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide;difluoromethane is CC(C)c1cccc(C(C)C)c1-n1[c-][n+](-c2c(C(C)C)cccc2C(C)C)cc1.F[CH-]F.[Ag+].

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

The InChIKey is PXSNPWHPZIISKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2.CHF2.Ag/c1-18(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;2-1-3;/h9-16,18-21H,1-8H3;1H;/q;-1;+1.

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

silver;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide;difluoromethane has a molecular weight of 547.48 g/mol, XLogP of 8.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for silver;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide;difluoromethane is sourced from PubChem (CID 139112648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).