1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene

C32H20F6 — CID 59221378

About 1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene

1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene (PubChem CID 59221378) has the molecular formula C32H20F6 and a molecular weight of 518.50 g/mol. Its IUPAC name is 1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene.

Molecular Properties

• Compound Name: 1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
• PubChem CID: 59221378
• Molecular Formula: C32H20F6
• Molecular Weight: 518.50 g/mol
• Exact Mass: 518.15
• IUPAC Name: 1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
• SMILES: FC(F)(F)c1ccc(/C=C/c2ccc(C#Cc3ccc(/C=C/c4ccc(C(F)(F)F)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C32H20F6/c33-31(34,35)29-19-15-27(16-20-29)13-11-25-7-3-23(4-8-25)1-2-24-5-9-26(10-6-24)12-14-28-17-21-30(22-18-28)32(36,37)38/h3-22H/b13-11+,14-12+
• InChIKey: SDTRMAFFRIUDDJ-PHEQNACWSA-N
• XLogP: 9.46
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.50
LogP ≤ 5	9.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene?

The IUPAC name of 1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene (CID 59221378) is 1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene.

What is the SMILES notation for 1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene?

The canonical SMILES for 1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene is FC(F)(F)c1ccc(/C=C/c2ccc(C#Cc3ccc(/C=C/c4ccc(C(F)(F)F)cc4)cc3)cc2)cc1.

What is the InChIKey of 1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene?

The InChIKey is SDTRMAFFRIUDDJ-PHEQNACWSA-N. The full InChI is InChI=1S/C32H20F6/c33-31(34,35)29-19-15-27(16-20-29)13-11-25-7-3-23(4-8-25)1-2-24-5-9-26(10-6-24)12-14-28-17-21-30(22-18-28)32(36,37)38/h3-22H/b13-11+,14-12+.

What are the key properties of 1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene?

1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene has a molecular weight of 518.50 g/mol, XLogP of 9.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene is sourced from PubChem (CID 59221378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).