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

C19H14 — CID 102382903

IUPAC1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-phenylbenzene
SMILESC(#Cc1ccc(-c2ccccc2)cc1)C1=CC=CC1
InChIInChI=1S/C19H14/c1-2-8-18(9-3-1)19-14-12-17(13-15-19)11-10-16-6-4-5-7-16/h1-6,8-9,12-15H,7H2
InChIKeyHZGLXGJSNCPFCY-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.59
Rot. Bonds1

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

1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-phenylbenzene (PubChem CID 102382903) has the molecular formula C19H14 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-phenylbenzene.

Molecular Properties

Compound Name1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-phenylbenzene
PubChem CID102382903
Molecular FormulaC19H14
Molecular Weight242.32 g/mol
Exact Mass242.11
IUPAC Name1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-phenylbenzene
SMILESC(#Cc1ccc(-c2ccccc2)cc1)C1=CC=CC1
InChIInChI=1S/C19H14/c1-2-8-18(9-3-1)19-14-12-17(13-15-19)11-10-16-6-4-5-7-16/h1-6,8-9,12-15H,7H2
InChIKeyHZGLXGJSNCPFCY-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.59
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-(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-cyclopenta-1,3-dien-1-ylethynyl)-4-(2-cyclopenta-1,4-dien-1-ylethynyl)benzene
CID 138976001
1,4-bis[4-(2-phenylethynyl)phenyl]benzene
CID 3111099
1,2-dimethyl-4-[2-(4-phenylphenyl)ethynyl]benzene
CID 143505044
1,3,5-tris[4-(2-phenylethynyl)phenyl]benzene
CID 15640933
1-phenyl-3-[2-(4-phenylphenyl)ethynyl]benzene
CID 59475328
2-(5-methylcyclohexa-1,3-dien-1-yl)ethynylbenzene
CID 15394481
1-methoxy-2-[2-[4-[4-[2-(2-methoxyphenyl)ethynyl]phenyl]phenyl]ethynyl]benzene
CID 70271277
3-(2-cyclopenta-1,3-dien-1-ylethynyl)perylene
CID 15374358
1-chloro-4-[4-(2-phenylethynyl)phenyl]benzene
CID 69325008
4-[2-(4-phenylphenyl)ethynyl]benzaldehyde
CID 11358016

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-phenylbenzene?
The IUPAC name of 1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-phenylbenzene (CID 102382903) is 1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-phenylbenzene.
What is the SMILES notation for 1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-phenylbenzene?
The canonical SMILES for 1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-phenylbenzene is C(#Cc1ccc(-c2ccccc2)cc1)C1=CC=CC1.
What is the InChIKey of 1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-phenylbenzene?
The InChIKey is HZGLXGJSNCPFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14/c1-2-8-18(9-3-1)19-14-12-17(13-15-19)11-10-16-6-4-5-7-16/h1-6,8-9,12-15H,7H2.
What are the key properties of 1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-phenylbenzene?
1-(2-cyclopenta-1,3-dien-1-ylethynyl)-4-phenylbenzene has a molecular weight of 242.32 g/mol, XLogP of 4.59, 1 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-phenylbenzene is sourced from PubChem (CID 102382903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).