2,5-bis(4-hexoxyphenyl)pyrazine

C28H36N2O2 — CID 86183417

IUPAC2,5-bis(4-hexoxyphenyl)pyrazine
SMILESCCCCCCOc1ccc(-c2cnc(-c3ccc(OCCCCCC)cc3)cn2)cc1
InChIInChI=1S/C28H36N2O2/c1-3-5-7-9-19-31-25-15-11-23(12-16-25)27-21-30-28(22-29-27)24-13-17-26(18-14-24)32-20-10-8-6-4-2/h11-18,21-22H,3-10,19-20H2,1-2H3
InChIKeyRBRGUILIJLFCOC-UHFFFAOYSA-N
MW432.61 g/mol
LogP7.73
Rot. Bonds14

About 2,5-bis(4-hexoxyphenyl)pyrazine

2,5-bis(4-hexoxyphenyl)pyrazine (PubChem CID 86183417) has the molecular formula C28H36N2O2 and a molecular weight of 432.61 g/mol. Its IUPAC name is 2,5-bis(4-hexoxyphenyl)pyrazine.

Molecular Properties

Compound Name2,5-bis(4-hexoxyphenyl)pyrazine
PubChem CID86183417
Molecular FormulaC28H36N2O2
Molecular Weight432.61 g/mol
Exact Mass432.28
IUPAC Name2,5-bis(4-hexoxyphenyl)pyrazine
SMILESCCCCCCOc1ccc(-c2cnc(-c3ccc(OCCCCCC)cc3)cn2)cc1
InChIInChI=1S/C28H36N2O2/c1-3-5-7-9-19-31-25-15-11-23(12-16-25)27-21-30-28(22-29-27)24-13-17-26(18-14-24)32-20-10-8-6-4-2/h11-18,21-22H,3-10,19-20H2,1-2H3
InChIKeyRBRGUILIJLFCOC-UHFFFAOYSA-N
XLogP7.73
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-heptoxy-5-(4-heptoxyphenyl)pyrazine
CID 19103384
3,6-bis(4-decoxyphenyl)pyridazine
CID 101171713
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
2-[4-(4-heptoxyphenyl)phenyl]-5-(4-methylphenyl)pyridine
CID 102122193
(4-octoxyphenyl) 5-(4-dodecoxyphenyl)pyrazine-2-carboxylate
CID 15919171
5-methyl-2-(4-pentoxyphenyl)pyridine
CID 96893655
4-(4-dodecoxyphenyl)-2H-triazole
CID 102307432
2,3-difluoro-5-(4-octoxyphenyl)pyrazine
CID 139612881
5-dodecyl-2-(4-octoxyphenyl)pyridine
CID 139626618
[5-(4-hexoxyphenyl)pyrazin-2-yl] (4-octoxyphenyl) carbonate
CID 70426320
2-(4-dodecoxyphenyl)-5-[(2S)-octan-2-yl]oxypyrazine
CID 14365796

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-hexoxyphenyl)pyrazine?
The IUPAC name of 2,5-bis(4-hexoxyphenyl)pyrazine (CID 86183417) is 2,5-bis(4-hexoxyphenyl)pyrazine.
What is the SMILES notation for 2,5-bis(4-hexoxyphenyl)pyrazine?
The canonical SMILES for 2,5-bis(4-hexoxyphenyl)pyrazine is CCCCCCOc1ccc(-c2cnc(-c3ccc(OCCCCCC)cc3)cn2)cc1.
What is the InChIKey of 2,5-bis(4-hexoxyphenyl)pyrazine?
The InChIKey is RBRGUILIJLFCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O2/c1-3-5-7-9-19-31-25-15-11-23(12-16-25)27-21-30-28(22-29-27)24-13-17-26(18-14-24)32-20-10-8-6-4-2/h11-18,21-22H,3-10,19-20H2,1-2H3.
What are the key properties of 2,5-bis(4-hexoxyphenyl)pyrazine?
2,5-bis(4-hexoxyphenyl)pyrazine has a molecular weight of 432.61 g/mol, XLogP of 7.73, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-hexoxyphenyl)pyrazine is sourced from PubChem (CID 86183417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).