[2,6-di(propan-2-yl)phenyl]-[(E)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1-trifluoropent-2-en-2-yl]azanide

C29H38F3N2- — CID 177489301

About [2,6-di(propan-2-yl)phenyl]-[(E)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1-trifluoropent-2-en-2-yl]azanide

[2,6-di(propan-2-yl)phenyl]-[(E)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1-trifluoropent-2-en-2-yl]azanide (PubChem CID 177489301) has the molecular formula C29H38F3N2- and a molecular weight of 471.63 g/mol. Its IUPAC name is [2,6-di(propan-2-yl)phenyl]-[(E)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1-trifluoropent-2-en-2-yl]azanide.

Molecular Properties

• Compound Name: [2,6-di(propan-2-yl)phenyl]-[(E)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1-trifluoropent-2-en-2-yl]azanide
• PubChem CID: 177489301
• Molecular Formula: C29H38F3N2-
• Molecular Weight: 471.63 g/mol
• Exact Mass: 471.30
• IUPAC Name: [2,6-di(propan-2-yl)phenyl]-[(E)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1-trifluoropent-2-en-2-yl]azanide
• SMILES: CC(/C=C(/[N-]c1c(C(C)C)cccc1C(C)C)C(F)(F)F)=N\c1c(C(C)C)cccc1C(C)C
• InChI: InChI=1S/C29H38F3N2/c1-17(2)22-12-10-13-23(18(3)4)27(22)33-21(9)16-26(29(30,31)32)34-28-24(19(5)6)14-11-15-25(28)20(7)8/h10-20H,1-9H3/q-1/b26-16+,33-21+
• InChIKey: GJWPVMHMEYTZQC-QBWCOBNSSA-N
• XLogP: 10.42
• TPSA: 26.46 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.63
LogP ≤ 5	10.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2,6-di(propan-2-yl)phenyl]-[(E)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1-trifluoropent-2-en-2-yl]azanide?

The IUPAC name of [2,6-di(propan-2-yl)phenyl]-[(E)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1-trifluoropent-2-en-2-yl]azanide (CID 177489301) is [2,6-di(propan-2-yl)phenyl]-[(E)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1-trifluoropent-2-en-2-yl]azanide.

What is the SMILES notation for [2,6-di(propan-2-yl)phenyl]-[(E)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1-trifluoropent-2-en-2-yl]azanide?

The canonical SMILES for [2,6-di(propan-2-yl)phenyl]-[(E)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1-trifluoropent-2-en-2-yl]azanide is CC(/C=C(/[N-]c1c(C(C)C)cccc1C(C)C)C(F)(F)F)=N\c1c(C(C)C)cccc1C(C)C.

What is the InChIKey of [2,6-di(propan-2-yl)phenyl]-[(E)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1-trifluoropent-2-en-2-yl]azanide?

The InChIKey is GJWPVMHMEYTZQC-QBWCOBNSSA-N. The full InChI is InChI=1S/C29H38F3N2/c1-17(2)22-12-10-13-23(18(3)4)27(22)33-21(9)16-26(29(30,31)32)34-28-24(19(5)6)14-11-15-25(28)20(7)8/h10-20H,1-9H3/q-1/b26-16+,33-21+.

What are the key properties of [2,6-di(propan-2-yl)phenyl]-[(E)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1-trifluoropent-2-en-2-yl]azanide?

[2,6-di(propan-2-yl)phenyl]-[(E)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1-trifluoropent-2-en-2-yl]azanide has a molecular weight of 471.63 g/mol, XLogP of 10.42, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [2,6-di(propan-2-yl)phenyl]-[(E)-4-[2,6-di(propan-2-yl)phenyl]imino-1,1,1-trifluoropent-2-en-2-yl]azanide is sourced from PubChem (CID 177489301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).