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

C32H16F6 — CID 86099970

IUPAC1-(trifluoromethyl)-4-[2-[4-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene
SMILESFC(F)(F)c1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccc(C(F)(F)F)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H16F6/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/h3-10,15-22H
InChIKeyHQYOKLPIYYUXQY-UHFFFAOYSA-N
MW514.47 g/mol
LogP7.92
Rot. Bonds

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

1-(trifluoromethyl)-4-[2-[4-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene (PubChem CID 86099970) has the molecular formula C32H16F6 and a molecular weight of 514.47 g/mol. Its IUPAC name is 1-(trifluoromethyl)-4-[2-[4-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene.

Molecular Properties

Compound Name1-(trifluoromethyl)-4-[2-[4-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene
PubChem CID86099970
Molecular FormulaC32H16F6
Molecular Weight514.47 g/mol
Exact Mass514.12
IUPAC Name1-(trifluoromethyl)-4-[2-[4-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene
SMILESFC(F)(F)c1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccc(C(F)(F)F)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H16F6/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/h3-10,15-22H
InChIKeyHQYOKLPIYYUXQY-UHFFFAOYSA-N
XLogP7.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.47
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(trifluoromethyl)-4-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]benzene
CID 143875518
1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
CID 59221378
ethane;1-(3-methylbut-1-ynyl)-4-(trifluoromethyl)benzene
CID 143067746
1-pent-1-ynyl-4-(trifluoromethyl)benzene
CID 68880068
2-[4-(trifluoromethyl)phenyl]ethynesulfonamide
CID 174814107
1-pent-4-en-1-ynyl-4-(trifluoromethyl)benzene
CID 166522966
1-(3-methoxyprop-1-ynyl)-4-(trifluoromethyl)benzene
CID 21305207
1-[2-(4-methylphenyl)ethynyl]-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]naphthalene
CID 59146812
1-hex-1-ynyl-4-(trifluoromethyl)benzene
CID 11736275
trimethyl-[10-[4-(trifluoromethyl)phenyl]deca-1,3,5,7,9-pentaynyl]silane
CID 102177171
9-phenyl-10-[2-[4-(trifluoromethyl)phenyl]ethynyl]anthracene
CID 58730020
1-[2-(4-ethynylphenyl)ethynyl]-3,5-bis(trifluoromethyl)benzene
CID 162536309

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-4-[2-[4-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene?
The IUPAC name of 1-(trifluoromethyl)-4-[2-[4-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene (CID 86099970) is 1-(trifluoromethyl)-4-[2-[4-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene.
What is the SMILES notation for 1-(trifluoromethyl)-4-[2-[4-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene?
The canonical SMILES for 1-(trifluoromethyl)-4-[2-[4-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene is FC(F)(F)c1ccc(C#Cc2ccc(C#Cc3ccc(C#Cc4ccc(C(F)(F)F)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-(trifluoromethyl)-4-[2-[4-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene?
The InChIKey is HQYOKLPIYYUXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H16F6/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/h3-10,15-22H.
What are the key properties of 1-(trifluoromethyl)-4-[2-[4-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene?
1-(trifluoromethyl)-4-[2-[4-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene has a molecular weight of 514.47 g/mol, XLogP of 7.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-4-[2-[4-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene is sourced from PubChem (CID 86099970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).