1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-(2-cyclopenta-1,4-dien-1-ylethynyl)benzene

C20H14 — CID 138976001

IUPAC1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-(2-cyclopenta-1,4-dien-1-ylethynyl)benzene
SMILESC(#Cc1ccc(C#CC2=CC=CC2)cc1)C1=CCC=C1
InChIInChI=1S/C20H14/c1-2-6-17(5-1)9-11-19-13-15-20(16-14-19)12-10-18-7-3-4-8-18/h1-3,5,7-8,13-16H,4,6H2
InChIKeyKFKLFVIYEXSFDE-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.16
Rot. Bonds

About 1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-(2-cyclopenta-1,4-dien-1-ylethynyl)benzene

1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-(2-cyclopenta-1,4-dien-1-ylethynyl)benzene (PubChem CID 138976001) has the molecular formula C20H14 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-(2-cyclopenta-1,4-dien-1-ylethynyl)benzene.

Molecular Properties

Compound Name1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-(2-cyclopenta-1,4-dien-1-ylethynyl)benzene
PubChem CID138976001
Molecular FormulaC20H14
Molecular Weight254.33 g/mol
Exact Mass254.11
IUPAC Name1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-(2-cyclopenta-1,4-dien-1-ylethynyl)benzene
SMILESC(#Cc1ccc(C#CC2=CC=CC2)cc1)C1=CCC=C1
InChIInChI=1S/C20H14/c1-2-6-17(5-1)9-11-19-13-15-20(16-14-19)12-10-18-7-3-4-8-18/h1-3,5,7-8,13-16H,4,6H2
InChIKeyKFKLFVIYEXSFDE-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-(2-cyclopenta-1,4-dien-1-ylethynyl)benzene 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

1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-phenylbenzene
CID 102382903
[4-(2-cyclopenta-1,3-dien-1-ylethynyl)phenyl]-phenyldiazene
CID 139241625
1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-(4-nitrophenyl)benzene
CID 102382902
1-(2-cyclohexa-1,5-dien-1-ylethynyl)-4-propan-2-ylbenzene
CID 142112192
1-(2-cyclohexa-1,4-dien-1-ylethynyl)-2-(2-phenylethynyl)benzene
CID 90988125
1-[2-(4-but-1-en-2-ylphenyl)ethynyl]-4-methylcyclohepta-1,3,5-triene
CID 174066658
2-(5-methylcyclohexa-1,3-dien-1-yl)ethynylbenzene
CID 15394481
3-(2-cyclopenta-1,3-dien-1-ylethynyl)perylene
CID 15374358
4-[2-(4-methylcyclohexa-1,5-dien-1-yl)ethynyl]aniline
CID 67967869
[(1R,2S)-2-(2-cyclopenta-1,4-dien-1-ylethynyl)-1-methylcyclopropyl]benzene
CID 138979412
1,4,4-trimethyl-6-[2-(4-methylcyclohepta-1,3,5-trien-1-yl)ethynyl]spiro[3H-quinoline-2,1'-cyclobutane]
CID 142131827
azane;2-(4-methylcyclopenta-1,4-dien-1-yl)ethynylbenzene;sulfane
CID 160807118

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-(2-cyclopenta-1,4-dien-1-ylethynyl)benzene?
The IUPAC name of 1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-(2-cyclopenta-1,4-dien-1-ylethynyl)benzene (CID 138976001) is 1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-(2-cyclopenta-1,4-dien-1-ylethynyl)benzene.
What is the SMILES notation for 1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-(2-cyclopenta-1,4-dien-1-ylethynyl)benzene?
The canonical SMILES for 1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-(2-cyclopenta-1,4-dien-1-ylethynyl)benzene is C(#Cc1ccc(C#CC2=CC=CC2)cc1)C1=CCC=C1.
What is the InChIKey of 1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-(2-cyclopenta-1,4-dien-1-ylethynyl)benzene?
The InChIKey is KFKLFVIYEXSFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14/c1-2-6-17(5-1)9-11-19-13-15-20(16-14-19)12-10-18-7-3-4-8-18/h1-3,5,7-8,13-16H,4,6H2.
What are the key properties of 1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-(2-cyclopenta-1,4-dien-1-ylethynyl)benzene?
1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-(2-cyclopenta-1,4-dien-1-ylethynyl)benzene has a molecular weight of 254.33 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-(2-cyclopenta-1,4-dien-1-ylethynyl)benzene is sourced from PubChem (CID 138976001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).