1-phenyl-4-[(E)-5-phenylpent-4-en-1-ynyl]benzene

C23H18 — CID 164683205

IUPAC1-phenyl-4-[(E)-5-phenylpent-4-en-1-ynyl]benzene
SMILESC(#Cc1ccc(-c2ccccc2)cc1)C/C=C/c1ccccc1
InChIInChI=1S/C23H18/c1-4-10-20(11-5-1)12-6-2-7-13-21-16-18-23(19-17-21)22-14-8-3-9-15-22/h1,3-6,8-12,14-19H,2H2/b12-6+
InChIKeyAIZWZOONDRMVGA-WUXMJOGZSA-N
MW294.40 g/mol
LogP5.81
Rot. Bonds3

About 1-phenyl-4-[(E)-5-phenylpent-4-en-1-ynyl]benzene

1-phenyl-4-[(E)-5-phenylpent-4-en-1-ynyl]benzene (PubChem CID 164683205) has the molecular formula C23H18 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-phenyl-4-[(E)-5-phenylpent-4-en-1-ynyl]benzene.

Molecular Properties

Compound Name1-phenyl-4-[(E)-5-phenylpent-4-en-1-ynyl]benzene
PubChem CID164683205
Molecular FormulaC23H18
Molecular Weight294.40 g/mol
Exact Mass294.14
IUPAC Name1-phenyl-4-[(E)-5-phenylpent-4-en-1-ynyl]benzene
SMILESC(#Cc1ccc(-c2ccccc2)cc1)C/C=C/c1ccccc1
InChIInChI=1S/C23H18/c1-4-10-20(11-5-1)12-6-2-7-13-21-16-18-23(19-17-21)22-14-8-3-9-15-22/h1,3-6,8-12,14-19H,2H2/b12-6+
InChIKeyAIZWZOONDRMVGA-WUXMJOGZSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.40
LogP ≤ 55.81
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

1-methyl-3-[(E)-5-phenylpent-4-en-1-ynyl]benzene
CID 164682760
1-methyl-2-[(E)-5-phenylpent-4-en-1-ynyl]benzene
CID 164683493
4-[(E)-5-phenylpent-1-en-4-ynyl]-2-prop-2-enylphenol
CID 164682402
[(E)-8-chlorooct-1-en-4-ynyl]benzene
CID 14322104
azane;1,1'-biphenyl;[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 88641143
1-phenyl-4-(4,4,4-trifluorobut-1-ynyl)benzene
CID 102334519
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
1,4-bis[4-(2-phenylethynyl)phenyl]benzene
CID 3111099
4-[2-(4-phenylphenyl)ethynyl]benzaldehyde
CID 11358016
1-(2-phenylethynyl)-4-[(Z)-2-[4-(2-phenylethynyl)phenyl]ethenyl]benzene
CID 5379616
benzene;but-1-enylbenzene
CID 157481332
1,4-bis(4-phenylbut-3-en-1-ynyl)benzene
CID 71446163

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[(E)-5-phenylpent-4-en-1-ynyl]benzene?
The IUPAC name of 1-phenyl-4-[(E)-5-phenylpent-4-en-1-ynyl]benzene (CID 164683205) is 1-phenyl-4-[(E)-5-phenylpent-4-en-1-ynyl]benzene.
What is the SMILES notation for 1-phenyl-4-[(E)-5-phenylpent-4-en-1-ynyl]benzene?
The canonical SMILES for 1-phenyl-4-[(E)-5-phenylpent-4-en-1-ynyl]benzene is C(#Cc1ccc(-c2ccccc2)cc1)C/C=C/c1ccccc1.
What is the InChIKey of 1-phenyl-4-[(E)-5-phenylpent-4-en-1-ynyl]benzene?
The InChIKey is AIZWZOONDRMVGA-WUXMJOGZSA-N. The full InChI is InChI=1S/C23H18/c1-4-10-20(11-5-1)12-6-2-7-13-21-16-18-23(19-17-21)22-14-8-3-9-15-22/h1,3-6,8-12,14-19H,2H2/b12-6+.
What are the key properties of 1-phenyl-4-[(E)-5-phenylpent-4-en-1-ynyl]benzene?
1-phenyl-4-[(E)-5-phenylpent-4-en-1-ynyl]benzene has a molecular weight of 294.40 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[(E)-5-phenylpent-4-en-1-ynyl]benzene is sourced from PubChem (CID 164683205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).