ethanol;4-(2,4,5-tripyridin-4-ylphenyl)pyridine

C28H24N4O — CID 139144971

IUPACethanol;4-(2,4,5-tripyridin-4-ylphenyl)pyridine
SMILESCCO.c1cc(-c2cc(-c3ccncc3)c(-c3ccncc3)cc2-c2ccncc2)ccn1
InChIInChI=1S/C26H18N4.C2H6O/c1-9-27-10-2-19(1)23-17-25(21-5-13-29-14-6-21)26(22-7-15-30-16-8-22)18-24(23)20-3-11-28-12-4-20;1-2-3/h1-18H;3H,2H2,1H3
InChIKeyQBEVYCGDWYWEGD-UHFFFAOYSA-N
MW432.53 g/mol
LogP5.93
Rot. Bonds4

About ethanol;4-(2,4,5-tripyridin-4-ylphenyl)pyridine

ethanol;4-(2,4,5-tripyridin-4-ylphenyl)pyridine (PubChem CID 139144971) has the molecular formula C28H24N4O and a molecular weight of 432.53 g/mol. Its IUPAC name is ethanol;4-(2,4,5-tripyridin-4-ylphenyl)pyridine.

Molecular Properties

Compound Nameethanol;4-(2,4,5-tripyridin-4-ylphenyl)pyridine
PubChem CID139144971
Molecular FormulaC28H24N4O
Molecular Weight432.53 g/mol
Exact Mass432.20
IUPAC Nameethanol;4-(2,4,5-tripyridin-4-ylphenyl)pyridine
SMILESCCO.c1cc(-c2cc(-c3ccncc3)c(-c3ccncc3)cc2-c2ccncc2)ccn1
InChIInChI=1S/C26H18N4.C2H6O/c1-9-27-10-2-19(1)23-17-25(21-5-13-29-14-6-21)26(22-7-15-30-16-8-22)18-24(23)20-3-11-28-12-4-20;1-2-3/h1-18H;3H,2H2,1H3
InChIKeyQBEVYCGDWYWEGD-UHFFFAOYSA-N
XLogP5.93
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[2,4-diphenyl-5-(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine
CID 67990612
4-[2,5-bis(ethoxymethyl)-4-pyridin-4-ylphenyl]pyridine
CID 132938539
4-(2,3,4,5-tetrapyridin-4-ylphenyl)pyridine
CID 88853115
ethanol;4-ethylpyridine
CID 174816615
ethanol;pyrazine
CID 68904554
4-[2-hexyl-4-[2,4,5-tris(3-hexyl-4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine
CID 89402899
4-(2-ethoxyphenyl)pyridine
CID 23466193
4,6-dipyridin-4-ylbenzene-1,3-dicarboxamide
CID 159949723
2,4,6-tripyridin-4-ylphenol
CID 141364180
ethanol;pyrazine;hydrate
CID 175344980
ethane;4-pyridin-4-ylpyridine
CID 142013036
4-(2,5-difluoro-4-pyridin-4-ylphenyl)pyridine
CID 102193894

Frequently Asked Questions

What is the IUPAC name of ethanol;4-(2,4,5-tripyridin-4-ylphenyl)pyridine?
The IUPAC name of ethanol;4-(2,4,5-tripyridin-4-ylphenyl)pyridine (CID 139144971) is ethanol;4-(2,4,5-tripyridin-4-ylphenyl)pyridine.
What is the SMILES notation for ethanol;4-(2,4,5-tripyridin-4-ylphenyl)pyridine?
The canonical SMILES for ethanol;4-(2,4,5-tripyridin-4-ylphenyl)pyridine is CCO.c1cc(-c2cc(-c3ccncc3)c(-c3ccncc3)cc2-c2ccncc2)ccn1.
What is the InChIKey of ethanol;4-(2,4,5-tripyridin-4-ylphenyl)pyridine?
The InChIKey is QBEVYCGDWYWEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4.C2H6O/c1-9-27-10-2-19(1)23-17-25(21-5-13-29-14-6-21)26(22-7-15-30-16-8-22)18-24(23)20-3-11-28-12-4-20;1-2-3/h1-18H;3H,2H2,1H3.
What are the key properties of ethanol;4-(2,4,5-tripyridin-4-ylphenyl)pyridine?
ethanol;4-(2,4,5-tripyridin-4-ylphenyl)pyridine has a molecular weight of 432.53 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;4-(2,4,5-tripyridin-4-ylphenyl)pyridine is sourced from PubChem (CID 139144971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).