[3-[fluoro(phenyl)methylidene]-5-phenylpenta-1,4-diynyl]benzene

C24H15F — CID 155935520

IUPAC[3-[fluoro(phenyl)methylidene]-5-phenylpenta-1,4-diynyl]benzene
SMILESFC(=C(C#Cc1ccccc1)C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H15F/c25-24(22-14-8-3-9-15-22)23(18-16-20-10-4-1-5-11-20)19-17-21-12-6-2-7-13-21/h1-15H
InChIKeyRUGMEPHVTMFBKQ-UHFFFAOYSA-N
MW322.38 g/mol
LogP5.47
Rot. Bonds1

About [3-[fluoro(phenyl)methylidene]-5-phenylpenta-1,4-diynyl]benzene

[3-[fluoro(phenyl)methylidene]-5-phenylpenta-1,4-diynyl]benzene (PubChem CID 155935520) has the molecular formula C24H15F and a molecular weight of 322.38 g/mol. Its IUPAC name is [3-[fluoro(phenyl)methylidene]-5-phenylpenta-1,4-diynyl]benzene.

Molecular Properties

Compound Name[3-[fluoro(phenyl)methylidene]-5-phenylpenta-1,4-diynyl]benzene
PubChem CID155935520
Molecular FormulaC24H15F
Molecular Weight322.38 g/mol
Exact Mass322.12
IUPAC Name[3-[fluoro(phenyl)methylidene]-5-phenylpenta-1,4-diynyl]benzene
SMILESFC(=C(C#Cc1ccccc1)C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H15F/c25-24(22-14-8-3-9-15-22)23(18-16-20-10-4-1-5-11-20)19-17-21-12-6-2-7-13-21/h1-15H
InChIKeyRUGMEPHVTMFBKQ-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.38
LogP ≤ 55.47
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

[4-methyl-3-(2-phenylethynyl)pent-3-en-1-ynyl]benzene
CID 102191460
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
(2S,3R)-5-phenylpent-4-yne-2,3-diol
CID 130992150
12-phenyl(1,12-13C2)dodeca-1,3,5,7,9,11-hexaynylbenzene
CID 102289282
methylsulfanylmethane;2-phenylethynylbenzene
CID 166709013
oxophosphanium;2-phenylethynylbenzene
CID 161111354
1,6-diphenylhex-3-en-1,5-diyne-3,4-dithiol
CID 72543052
methyl(2-phenylethynyl)silane;zirconium;dihydrochloride
CID 173310887
2-phenylethynylbenzene;dihydrochloride
CID 174927104
2-phenylethynylbenzene;hydrofluoride
CID 158259923
(Z)-4,6-diphenylhex-3-en-5-yn-2-ol
CID 134859358
prop-1-ynylbenzene
CID 142310164

Frequently Asked Questions

What is the IUPAC name of [3-[fluoro(phenyl)methylidene]-5-phenylpenta-1,4-diynyl]benzene?
The IUPAC name of [3-[fluoro(phenyl)methylidene]-5-phenylpenta-1,4-diynyl]benzene (CID 155935520) is [3-[fluoro(phenyl)methylidene]-5-phenylpenta-1,4-diynyl]benzene.
What is the SMILES notation for [3-[fluoro(phenyl)methylidene]-5-phenylpenta-1,4-diynyl]benzene?
The canonical SMILES for [3-[fluoro(phenyl)methylidene]-5-phenylpenta-1,4-diynyl]benzene is FC(=C(C#Cc1ccccc1)C#Cc1ccccc1)c1ccccc1.
What is the InChIKey of [3-[fluoro(phenyl)methylidene]-5-phenylpenta-1,4-diynyl]benzene?
The InChIKey is RUGMEPHVTMFBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F/c25-24(22-14-8-3-9-15-22)23(18-16-20-10-4-1-5-11-20)19-17-21-12-6-2-7-13-21/h1-15H.
What are the key properties of [3-[fluoro(phenyl)methylidene]-5-phenylpenta-1,4-diynyl]benzene?
[3-[fluoro(phenyl)methylidene]-5-phenylpenta-1,4-diynyl]benzene has a molecular weight of 322.38 g/mol, XLogP of 5.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[fluoro(phenyl)methylidene]-5-phenylpenta-1,4-diynyl]benzene is sourced from PubChem (CID 155935520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).