2-(2-phenylethynyl)anthracene

C22H14 — CID 143875510

IUPAC2-(2-phenylethynyl)anthracene
SMILESC(#Cc1ccc2cc3ccccc3cc2c1)c1ccccc1
InChIInChI=1S/C22H14/c1-2-6-17(7-3-1)10-11-18-12-13-21-15-19-8-4-5-9-20(19)16-22(21)14-18/h1-9,12-16H
InChIKeyOHDVFTKXIZUJMH-UHFFFAOYSA-N
MW278.35 g/mol
LogP5.39
Rot. Bonds

About 2-(2-phenylethynyl)anthracene

2-(2-phenylethynyl)anthracene (PubChem CID 143875510) has the molecular formula C22H14 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(2-phenylethynyl)anthracene.

Molecular Properties

Compound Name2-(2-phenylethynyl)anthracene
PubChem CID143875510
Molecular FormulaC22H14
Molecular Weight278.35 g/mol
Exact Mass278.11
IUPAC Name2-(2-phenylethynyl)anthracene
SMILESC(#Cc1ccc2cc3ccccc3cc2c1)c1ccccc1
InChIInChI=1S/C22H14/c1-2-6-17(7-3-1)10-11-18-12-13-21-15-19-8-4-5-9-20(19)16-22(21)14-18/h1-9,12-16H
InChIKeyOHDVFTKXIZUJMH-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.35
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-(2-phenylethynyl)anthracene 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

2,9-bis[2-(4-methylphenyl)ethynyl]pentacene
CID 59146857
2,6-bis[2-(4-methylphenyl)ethynyl]anthracene
CID 59146732
N-(2-anthracen-2-ylethynyl)aniline
CID 87529034
9,10-bis(2-naphthalen-2-ylethynyl)anthracene
CID 101489340
2-[2-[4-(bromomethyl)phenyl]ethynyl]naphthalene
CID 170457112
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
2-[2-(4-isocyanophenyl)ethynyl]naphthalene
CID 123559812
7-(2-phenylethynyl)quinoline
CID 101476141
2-(2-naphthalen-2-ylethynyl)-6-[(E)-2-[6-(2-naphthalen-2-ylethynyl)naphthalen-2-yl]ethenyl]naphthalene
CID 59413225
CID 91802378
CID 91802378
2-[(E)-2-phenylethenyl]-6-[2-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]ethynyl]naphthalene
CID 59221386
2-phenylethynylbenzene;dihydrochloride
CID 174927104

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethynyl)anthracene?
The IUPAC name of 2-(2-phenylethynyl)anthracene (CID 143875510) is 2-(2-phenylethynyl)anthracene.
What is the SMILES notation for 2-(2-phenylethynyl)anthracene?
The canonical SMILES for 2-(2-phenylethynyl)anthracene is C(#Cc1ccc2cc3ccccc3cc2c1)c1ccccc1.
What is the InChIKey of 2-(2-phenylethynyl)anthracene?
The InChIKey is OHDVFTKXIZUJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14/c1-2-6-17(7-3-1)10-11-18-12-13-21-15-19-8-4-5-9-20(19)16-22(21)14-18/h1-9,12-16H.
What are the key properties of 2-(2-phenylethynyl)anthracene?
2-(2-phenylethynyl)anthracene has a molecular weight of 278.35 g/mol, XLogP of 5.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethynyl)anthracene is sourced from PubChem (CID 143875510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).