1,2,3-trifluoro-5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]benzene

C24H12F6 — CID 154500578

IUPAC1,2,3-trifluoro-5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]benzene
SMILESFc1cc(-c2ccc(-c3ccc(-c4cc(F)c(F)c(F)c4)cc3)cc2)cc(F)c1F
InChIInChI=1S/C24H12F6/c25-19-9-17(10-20(26)23(19)29)15-5-1-13(2-6-15)14-3-7-16(8-4-14)18-11-21(27)24(30)22(28)12-18/h1-12H
InChIKeyNPURNWGNHVPWJY-UHFFFAOYSA-N
MW414.35 g/mol
LogP7.52
Rot. Bonds3

About 1,2,3-trifluoro-5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]benzene

1,2,3-trifluoro-5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]benzene (PubChem CID 154500578) has the molecular formula C24H12F6 and a molecular weight of 414.35 g/mol. Its IUPAC name is 1,2,3-trifluoro-5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]benzene.

Molecular Properties

Compound Name1,2,3-trifluoro-5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]benzene
PubChem CID154500578
Molecular FormulaC24H12F6
Molecular Weight414.35 g/mol
Exact Mass414.08
IUPAC Name1,2,3-trifluoro-5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]benzene
SMILESFc1cc(-c2ccc(-c3ccc(-c4cc(F)c(F)c(F)c4)cc3)cc2)cc(F)c1F
InChIInChI=1S/C24H12F6/c25-19-9-17(10-20(26)23(19)29)15-5-1-13(2-6-15)14-3-7-16(8-4-14)18-11-21(27)24(30)22(28)12-18/h1-12H
InChIKeyNPURNWGNHVPWJY-UHFFFAOYSA-N
XLogP7.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.35
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluoro-5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]benzene?
The IUPAC name of 1,2,3-trifluoro-5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]benzene (CID 154500578) is 1,2,3-trifluoro-5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]benzene.
What is the SMILES notation for 1,2,3-trifluoro-5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]benzene?
The canonical SMILES for 1,2,3-trifluoro-5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]benzene is Fc1cc(-c2ccc(-c3ccc(-c4cc(F)c(F)c(F)c4)cc3)cc2)cc(F)c1F.
What is the InChIKey of 1,2,3-trifluoro-5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]benzene?
The InChIKey is NPURNWGNHVPWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12F6/c25-19-9-17(10-20(26)23(19)29)15-5-1-13(2-6-15)14-3-7-16(8-4-14)18-11-21(27)24(30)22(28)12-18/h1-12H.
What are the key properties of 1,2,3-trifluoro-5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]benzene?
1,2,3-trifluoro-5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]benzene has a molecular weight of 414.35 g/mol, XLogP of 7.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluoro-5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]benzene is sourced from PubChem (CID 154500578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).