4-[2-[3-phenylmethoxy-5-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine

C27H18N2O — CID 102595555

IUPAC4-[2-[3-phenylmethoxy-5-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine
SMILESC(#Cc1cc(C#Cc2ccncc2)cc(OCc2ccccc2)c1)c1ccncc1
InChIInChI=1S/C27H18N2O/c1-2-4-24(5-3-1)21-30-27-19-25(8-6-22-10-14-28-15-11-22)18-26(20-27)9-7-23-12-16-29-17-13-23/h1-5,10-20H,21H2
InChIKeyQOHBMNPJOWMDMG-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.86
Rot. Bonds3

About 4-[2-[3-phenylmethoxy-5-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine

4-[2-[3-phenylmethoxy-5-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine (PubChem CID 102595555) has the molecular formula C27H18N2O and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-[2-[3-phenylmethoxy-5-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine.

Molecular Properties

Compound Name4-[2-[3-phenylmethoxy-5-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine
PubChem CID102595555
Molecular FormulaC27H18N2O
Molecular Weight386.45 g/mol
Exact Mass386.14
IUPAC Name4-[2-[3-phenylmethoxy-5-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine
SMILESC(#Cc1cc(C#Cc2ccncc2)cc(OCc2ccccc2)c1)c1ccncc1
InChIInChI=1S/C27H18N2O/c1-2-4-24(5-3-1)21-30-27-19-25(8-6-22-10-14-28-15-11-22)18-26(20-27)9-7-23-12-16-29-17-13-23/h1-5,10-20H,21H2
InChIKeyQOHBMNPJOWMDMG-UHFFFAOYSA-N
XLogP4.86
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-[3-phenylmethoxy-5-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine 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

4-[2-[9,10-bis(phenylmethoxy)-6-(2-pyridin-4-ylethynyl)phenanthren-3-yl]ethynyl]pyridine
CID 56926975
1-[2-(4-phenylmethoxyphenyl)ethyl]-1-pyridin-4-ylhydrazine
CID 174419647
2-[[4-(2-pyridin-4-ylethynyl)phenoxy]methyl]quinoline
CID 59797507
trimethyl-[2-(3-phenylmethoxyphenyl)ethynyl]silane
CID 22570241
4-phenylmethoxyaniline
CID 159966727
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
N-[(3-phenylmethoxyphenyl)methyl]pyridin-4-amine
CID 141029302
1-iodo-3,5-bis(phenylmethoxy)benzene
CID 15389195
8-bromo-6-phenylmethoxyisoquinoline
CID 67402699
4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-pyridinyl]pyridine
CID 102467208
trimethyl-[2-[4-(phenoxymethyl)phenyl]ethynyl]silane
CID 134093066
6,7-bis(phenylmethoxy)isoquinoline
CID 14151864

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-phenylmethoxy-5-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine?
The IUPAC name of 4-[2-[3-phenylmethoxy-5-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine (CID 102595555) is 4-[2-[3-phenylmethoxy-5-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine.
What is the SMILES notation for 4-[2-[3-phenylmethoxy-5-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine?
The canonical SMILES for 4-[2-[3-phenylmethoxy-5-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine is C(#Cc1cc(C#Cc2ccncc2)cc(OCc2ccccc2)c1)c1ccncc1.
What is the InChIKey of 4-[2-[3-phenylmethoxy-5-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine?
The InChIKey is QOHBMNPJOWMDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2O/c1-2-4-24(5-3-1)21-30-27-19-25(8-6-22-10-14-28-15-11-22)18-26(20-27)9-7-23-12-16-29-17-13-23/h1-5,10-20H,21H2.
What are the key properties of 4-[2-[3-phenylmethoxy-5-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine?
4-[2-[3-phenylmethoxy-5-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine has a molecular weight of 386.45 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-phenylmethoxy-5-(2-pyridin-4-ylethynyl)phenyl]ethynyl]pyridine is sourced from PubChem (CID 102595555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).