1-(1,5-diphenylpenta-1,4-diyn-3-yl)-4-fluorobenzene

C23H15F — CID 71492058

IUPAC1-(1,5-diphenylpenta-1,4-diyn-3-yl)-4-fluorobenzene
SMILESFc1ccc(C(C#Cc2ccccc2)C#Cc2ccccc2)cc1
InChIInChI=1S/C23H15F/c24-23-17-15-22(16-18-23)21(13-11-19-7-3-1-4-8-19)14-12-20-9-5-2-6-10-20/h1-10,15-18,21H
InChIKeyMBYYHYNPXDIKHD-UHFFFAOYSA-N
MW310.37 g/mol
LogP5.01
Rot. Bonds1

About 1-(1,5-diphenylpenta-1,4-diyn-3-yl)-4-fluorobenzene

1-(1,5-diphenylpenta-1,4-diyn-3-yl)-4-fluorobenzene (PubChem CID 71492058) has the molecular formula C23H15F and a molecular weight of 310.37 g/mol. Its IUPAC name is 1-(1,5-diphenylpenta-1,4-diyn-3-yl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(1,5-diphenylpenta-1,4-diyn-3-yl)-4-fluorobenzene
PubChem CID71492058
Molecular FormulaC23H15F
Molecular Weight310.37 g/mol
Exact Mass310.12
IUPAC Name1-(1,5-diphenylpenta-1,4-diyn-3-yl)-4-fluorobenzene
SMILESFc1ccc(C(C#Cc2ccccc2)C#Cc2ccccc2)cc1
InChIInChI=1S/C23H15F/c24-23-17-15-22(16-18-23)21(13-11-19-7-3-1-4-8-19)14-12-20-9-5-2-6-10-20/h1-10,15-18,21H
InChIKeyMBYYHYNPXDIKHD-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.37
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(1,5-diphenylpenta-1,4-diyn-3-yl)-4-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]aniline
CID 45358247
2-(4-fluorophenyl)ethynyl-triphenylphosphanium chloride
CID 57419816
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylprop-2-yn-1-amine
CID 81347915
2-(4-fluorophenyl)-5-phenylpent-4-ynoic acid
CID 79434382
1-fluoro-4-[3-phenyl-1-(3-phenylmethoxypropoxy)prop-2-ynyl]benzene
CID 101438206
N-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]-4-methylbenzenesulfonamide
CID 23649829
1-[3-(4-fluorophenyl)-1-phenylprop-2-ynyl]piperidine
CID 102298173
(4-fluorophenyl)-[phenyl(2-phenylethynyl)phosphoryl]methanol
CID 4262133
1,4-bis[2-(4-fluorophenyl)ethynyl]benzene
CID 4677208
1-(1,3-diphenylprop-2-ynyl)-4-phenylbenzene
CID 102164234
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
1-methyl-4-(4-phenylbut-3-yn-2-yl)benzene
CID 102286011

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-diphenylpenta-1,4-diyn-3-yl)-4-fluorobenzene?
The IUPAC name of 1-(1,5-diphenylpenta-1,4-diyn-3-yl)-4-fluorobenzene (CID 71492058) is 1-(1,5-diphenylpenta-1,4-diyn-3-yl)-4-fluorobenzene.
What is the SMILES notation for 1-(1,5-diphenylpenta-1,4-diyn-3-yl)-4-fluorobenzene?
The canonical SMILES for 1-(1,5-diphenylpenta-1,4-diyn-3-yl)-4-fluorobenzene is Fc1ccc(C(C#Cc2ccccc2)C#Cc2ccccc2)cc1.
What is the InChIKey of 1-(1,5-diphenylpenta-1,4-diyn-3-yl)-4-fluorobenzene?
The InChIKey is MBYYHYNPXDIKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F/c24-23-17-15-22(16-18-23)21(13-11-19-7-3-1-4-8-19)14-12-20-9-5-2-6-10-20/h1-10,15-18,21H.
What are the key properties of 1-(1,5-diphenylpenta-1,4-diyn-3-yl)-4-fluorobenzene?
1-(1,5-diphenylpenta-1,4-diyn-3-yl)-4-fluorobenzene has a molecular weight of 310.37 g/mol, XLogP of 5.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-diphenylpenta-1,4-diyn-3-yl)-4-fluorobenzene is sourced from PubChem (CID 71492058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).