silver;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trifluoromethanesulfonate

C34H43AgF3N3O3S — CID 139174829

About silver;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trifluoromethanesulfonate

silver;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trifluoromethanesulfonate (PubChem CID 139174829) has the molecular formula C34H43AgF3N3O3S and a molecular weight of 738.67 g/mol. Its IUPAC name is silver;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trifluoromethanesulfonate.

Molecular Properties

• Compound Name: silver;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trifluoromethanesulfonate
• PubChem CID: 139174829
• Molecular Formula: C34H43AgF3N3O3S
• Molecular Weight: 738.67 g/mol
• Exact Mass: 737.20
• IUPAC Name: silver;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trifluoromethanesulfonate
• SMILES: C/C(=N\c1c(C(C)C)cccc1C(C)C)c1cccc(/C(C)=N/c2c(C(C)C)cccc2C(C)C)n1.O=S(=O)([O-])C(F)(F)F.[Ag+]
• InChI: InChI=1S/C33H43N3.CHF3O3S.Ag/c1-20(2)26-14-11-15-27(21(3)4)32(26)34-24(9)30-18-13-19-31(36-30)25(10)35-33-28(22(5)6)16-12-17-29(33)23(7)8;2-1(3,4)8(5,6)7;/h11-23H,1-10H3;(H,5,6,7);/q;;+1/p-1/b34-24+,35-25+
• InChIKey: VRZHEFUJTKAORV-DGOWAXEKSA-M
• XLogP: 9.91
• TPSA: 94.81 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	738.67
LogP ≤ 5	9.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of silver;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trifluoromethanesulfonate?

The IUPAC name of silver;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trifluoromethanesulfonate (CID 139174829) is silver;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trifluoromethanesulfonate.

What is the SMILES notation for silver;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trifluoromethanesulfonate?

The canonical SMILES for silver;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trifluoromethanesulfonate is C/C(=N\c1c(C(C)C)cccc1C(C)C)c1cccc(/C(C)=N/c2c(C(C)C)cccc2C(C)C)n1.O=S(=O)([O-])C(F)(F)F.[Ag+].

What is the InChIKey of silver;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trifluoromethanesulfonate?

The InChIKey is VRZHEFUJTKAORV-DGOWAXEKSA-M. The full InChI is InChI=1S/C33H43N3.CHF3O3S.Ag/c1-20(2)26-14-11-15-27(21(3)4)32(26)34-24(9)30-18-13-19-31(36-30)25(10)35-33-28(22(5)6)16-12-17-29(33)23(7)8;2-1(3,4)8(5,6)7;/h11-23H,1-10H3;(H,5,6,7);/q;;+1/p-1/b34-24+,35-25+;;.

What are the key properties of silver;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trifluoromethanesulfonate?

silver;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trifluoromethanesulfonate has a molecular weight of 738.67 g/mol, XLogP of 9.91, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for silver;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trifluoromethanesulfonate is sourced from PubChem (CID 139174829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).