N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethylideneamino]phenyl]propan-2-yl]phenyl]-1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethanimine

C51H48F6N6 — CID 58660068

About N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethylideneamino]phenyl]propan-2-yl]phenyl]-1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethanimine

N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethylideneamino]phenyl]propan-2-yl]phenyl]-1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethanimine (PubChem CID 58660068) has the molecular formula C51H48F6N6 and a molecular weight of 858.97 g/mol. Its IUPAC name is N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethylideneamino]phenyl]propan-2-yl]phenyl]-1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethanimine.

Molecular Properties

• Compound Name: N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethylideneamino]phenyl]propan-2-yl]phenyl]-1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethanimine
• PubChem CID: 58660068
• Molecular Formula: C51H48F6N6
• Molecular Weight: 858.97 g/mol
• Exact Mass: 858.38
• IUPAC Name: N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethylideneamino]phenyl]propan-2-yl]phenyl]-1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethanimine
• SMILES: C/C(=N\c1ccc(C(c2ccc(/N=C(\C)c3cccc(/C(C)=N/c4c(C)cc(C)cc4C)n3)cc2)(C(F)(F)F)C(F)(F)F)cc1)c1cccc(/C(C)=N/c2c(C)cc(C)cc2C)n1
• InChI: InChI=1S/C51H48F6N6/c1-29-25-31(3)47(32(4)26-29)60-37(9)45-15-11-13-43(62-45)35(7)58-41-21-17-39(18-22-41)49(50(52,53)54,51(55,56)57)40-19-23-42(24-20-40)59-36(8)44-14-12-16-46(63-44)38(10)61-48-33(5)27-30(2)28-34(48)6/h11-28H,1-10H3/b58-35+,59-36+,60-37+,61-38+
• InChIKey: KLIXPPCULRVLEG-AMKOBRKASA-N
• XLogP: 14.30
• TPSA: 75.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	858.97
LogP ≤ 5	14.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethylideneamino]phenyl]propan-2-yl]phenyl]-1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethanimine?

The IUPAC name of N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethylideneamino]phenyl]propan-2-yl]phenyl]-1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethanimine (CID 58660068) is N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethylideneamino]phenyl]propan-2-yl]phenyl]-1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethanimine.

What is the SMILES notation for N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethylideneamino]phenyl]propan-2-yl]phenyl]-1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethanimine?

The canonical SMILES for N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethylideneamino]phenyl]propan-2-yl]phenyl]-1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethanimine is C/C(=N\c1ccc(C(c2ccc(/N=C(\C)c3cccc(/C(C)=N/c4c(C)cc(C)cc4C)n3)cc2)(C(F)(F)F)C(F)(F)F)cc1)c1cccc(/C(C)=N/c2c(C)cc(C)cc2C)n1.

What is the InChIKey of N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethylideneamino]phenyl]propan-2-yl]phenyl]-1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethanimine?

The InChIKey is KLIXPPCULRVLEG-AMKOBRKASA-N. The full InChI is InChI=1S/C51H48F6N6/c1-29-25-31(3)47(32(4)26-29)60-37(9)45-15-11-13-43(62-45)35(7)58-41-21-17-39(18-22-41)49(50(52,53)54,51(55,56)57)40-19-23-42(24-20-40)59-36(8)44-14-12-16-46(63-44)38(10)61-48-33(5)27-30(2)28-34(48)6/h11-28H,1-10H3/b58-35+,59-36+,60-37+,61-38+.

What are the key properties of N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethylideneamino]phenyl]propan-2-yl]phenyl]-1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethanimine?

N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethylideneamino]phenyl]propan-2-yl]phenyl]-1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethanimine has a molecular weight of 858.97 g/mol, XLogP of 14.30, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethylideneamino]phenyl]propan-2-yl]phenyl]-1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethanimine is sourced from PubChem (CID 58660068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).