1-(4-fluorophenyl)-3-phenyl-2,4-bis(prop-2-enyl)benzene

C24H21F — CID 173362842

IUPAC1-(4-fluorophenyl)-3-phenyl-2,4-bis(prop-2-enyl)benzene
SMILESC=CCc1ccc(-c2ccc(F)cc2)c(CC=C)c1-c1ccccc1
InChIInChI=1S/C24H21F/c1-3-8-19-14-17-22(18-12-15-21(25)16-13-18)23(9-4-2)24(19)20-10-6-5-7-11-20/h3-7,10-17H,1-2,8-9H2
InChIKeyGIQFVVHKLNKWJS-UHFFFAOYSA-N
MW328.43 g/mol
LogP6.62
Rot. Bonds6

About 1-(4-fluorophenyl)-3-phenyl-2,4-bis(prop-2-enyl)benzene

1-(4-fluorophenyl)-3-phenyl-2,4-bis(prop-2-enyl)benzene (PubChem CID 173362842) has the molecular formula C24H21F and a molecular weight of 328.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-phenyl-2,4-bis(prop-2-enyl)benzene.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-phenyl-2,4-bis(prop-2-enyl)benzene
PubChem CID173362842
Molecular FormulaC24H21F
Molecular Weight328.43 g/mol
Exact Mass328.16
IUPAC Name1-(4-fluorophenyl)-3-phenyl-2,4-bis(prop-2-enyl)benzene
SMILESC=CCc1ccc(-c2ccc(F)cc2)c(CC=C)c1-c1ccccc1
InChIInChI=1S/C24H21F/c1-3-8-19-14-17-22(18-12-15-21(25)16-13-18)23(9-4-2)24(19)20-10-6-5-7-11-20/h3-7,10-17H,1-2,8-9H2
InChIKeyGIQFVVHKLNKWJS-UHFFFAOYSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.43
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-phenyl-2,4-bis(prop-2-enyl)benzene?
The IUPAC name of 1-(4-fluorophenyl)-3-phenyl-2,4-bis(prop-2-enyl)benzene (CID 173362842) is 1-(4-fluorophenyl)-3-phenyl-2,4-bis(prop-2-enyl)benzene.
What is the SMILES notation for 1-(4-fluorophenyl)-3-phenyl-2,4-bis(prop-2-enyl)benzene?
The canonical SMILES for 1-(4-fluorophenyl)-3-phenyl-2,4-bis(prop-2-enyl)benzene is C=CCc1ccc(-c2ccc(F)cc2)c(CC=C)c1-c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-phenyl-2,4-bis(prop-2-enyl)benzene?
The InChIKey is GIQFVVHKLNKWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F/c1-3-8-19-14-17-22(18-12-15-21(25)16-13-18)23(9-4-2)24(19)20-10-6-5-7-11-20/h3-7,10-17H,1-2,8-9H2.
What are the key properties of 1-(4-fluorophenyl)-3-phenyl-2,4-bis(prop-2-enyl)benzene?
1-(4-fluorophenyl)-3-phenyl-2,4-bis(prop-2-enyl)benzene has a molecular weight of 328.43 g/mol, XLogP of 6.62, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-phenyl-2,4-bis(prop-2-enyl)benzene is sourced from PubChem (CID 173362842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).