1,2,3,4,5-pentafluoro-6-[4-(4-phenylphenyl)phenyl]benzene

C24H13F5 — CID 102031632

IUPAC1,2,3,4,5-pentafluoro-6-[4-(4-phenylphenyl)phenyl]benzene
SMILESFc1c(F)c(F)c(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c(F)c1F
InChIInChI=1S/C24H13F5/c25-20-19(21(26)23(28)24(29)22(20)27)18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H
InChIKeyUMIRXDSHBLESMW-UHFFFAOYSA-N
MW396.36 g/mol
LogP7.38
Rot. Bonds3

About 1,2,3,4,5-pentafluoro-6-[4-(4-phenylphenyl)phenyl]benzene

1,2,3,4,5-pentafluoro-6-[4-(4-phenylphenyl)phenyl]benzene (PubChem CID 102031632) has the molecular formula C24H13F5 and a molecular weight of 396.36 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[4-(4-phenylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-[4-(4-phenylphenyl)phenyl]benzene
PubChem CID102031632
Molecular FormulaC24H13F5
Molecular Weight396.36 g/mol
Exact Mass396.09
IUPAC Name1,2,3,4,5-pentafluoro-6-[4-(4-phenylphenyl)phenyl]benzene
SMILESFc1c(F)c(F)c(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c(F)c1F
InChIInChI=1S/C24H13F5/c25-20-19(21(26)23(28)24(29)22(20)27)18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H
InChIKeyUMIRXDSHBLESMW-UHFFFAOYSA-N
XLogP7.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.36
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-[4-(4-phenylphenyl)phenyl]benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-[4-(4-phenylphenyl)phenyl]benzene (CID 102031632) is 1,2,3,4,5-pentafluoro-6-[4-(4-phenylphenyl)phenyl]benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[4-(4-phenylphenyl)phenyl]benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[4-(4-phenylphenyl)phenyl]benzene is Fc1c(F)c(F)c(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-[4-(4-phenylphenyl)phenyl]benzene?
The InChIKey is UMIRXDSHBLESMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13F5/c25-20-19(21(26)23(28)24(29)22(20)27)18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H.
What are the key properties of 1,2,3,4,5-pentafluoro-6-[4-(4-phenylphenyl)phenyl]benzene?
1,2,3,4,5-pentafluoro-6-[4-(4-phenylphenyl)phenyl]benzene has a molecular weight of 396.36 g/mol, XLogP of 7.38, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-[4-(4-phenylphenyl)phenyl]benzene is sourced from PubChem (CID 102031632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).