2-methoxy-5-[2-[3-[2-(4-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]pyridine

C27H18N2O — CID 171438558

IUPAC2-methoxy-5-[2-[3-[2-(4-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]pyridine
SMILESCOc1ccc(C#Cc2cccc(C#Cc3ccc(-c4ccccn4)cc3)c2)cn1
InChIInChI=1S/C27H18N2O/c1-30-27-17-14-24(20-29-27)11-10-23-6-4-5-22(19-23)9-8-21-12-15-25(16-13-21)26-7-2-3-18-28-26/h2-7,12-20H,1H3
InChIKeyRMXFEVKLHXKXSL-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.95
Rot. Bonds2

About 2-methoxy-5-[2-[3-[2-(4-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]pyridine

2-methoxy-5-[2-[3-[2-(4-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]pyridine (PubChem CID 171438558) has the molecular formula C27H18N2O and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-methoxy-5-[2-[3-[2-(4-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]pyridine.

Molecular Properties

Compound Name2-methoxy-5-[2-[3-[2-(4-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]pyridine
PubChem CID171438558
Molecular FormulaC27H18N2O
Molecular Weight386.45 g/mol
Exact Mass386.14
IUPAC Name2-methoxy-5-[2-[3-[2-(4-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]pyridine
SMILESCOc1ccc(C#Cc2cccc(C#Cc3ccc(-c4ccccn4)cc3)c2)cn1
InChIInChI=1S/C27H18N2O/c1-30-27-17-14-24(20-29-27)11-10-23-6-4-5-22(19-23)9-8-21-12-15-25(16-13-21)26-7-2-3-18-28-26/h2-7,12-20H,1H3
InChIKeyRMXFEVKLHXKXSL-UHFFFAOYSA-N
XLogP4.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 25130848
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2-Methoxy-5-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine
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2-methoxy-5-(2-methyl-5-phenyl-1H-pyrrol-1-yl)pyridine
CID 742245
2-(4-Methoxyphenyl)-5-pentylpyridine
CID 2058335
4-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 4105676
3-(4-Methoxybenzylidene)anabaseine
CID 11601561
3-(3-Methoxybenzylidene)anabaseine
CID 11637689
3-(6-Methoxynaphth-2-ylmethylene)anabaseine
CID 15982063
3-(2,2-Dipyridin-3-ylethyl)-2-(3-methoxyphenyl)pyridine
CID 66829310
2-Methoxy-6-phenyl-4-pyridin-4-ylpyridine-3-carbonitrile
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CID 154644624

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-[3-[2-(4-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]pyridine?
The IUPAC name of 2-methoxy-5-[2-[3-[2-(4-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]pyridine (CID 171438558) is 2-methoxy-5-[2-[3-[2-(4-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]pyridine.
What is the SMILES notation for 2-methoxy-5-[2-[3-[2-(4-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]pyridine?
The canonical SMILES for 2-methoxy-5-[2-[3-[2-(4-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]pyridine is COc1ccc(C#Cc2cccc(C#Cc3ccc(-c4ccccn4)cc3)c2)cn1.
What is the InChIKey of 2-methoxy-5-[2-[3-[2-(4-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]pyridine?
The InChIKey is RMXFEVKLHXKXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2O/c1-30-27-17-14-24(20-29-27)11-10-23-6-4-5-22(19-23)9-8-21-12-15-25(16-13-21)26-7-2-3-18-28-26/h2-7,12-20H,1H3.
What are the key properties of 2-methoxy-5-[2-[3-[2-(4-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]pyridine?
2-methoxy-5-[2-[3-[2-(4-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]pyridine has a molecular weight of 386.45 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-[3-[2-(4-pyridin-2-ylphenyl)ethynyl]phenyl]ethynyl]pyridine is sourced from PubChem (CID 171438558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).