2-(4-decylphenyl)-6-octylquinoxaline

C32H46N2 — CID 59933390

IUPAC2-(4-decylphenyl)-6-octylquinoxaline
SMILESCCCCCCCCCCc1ccc(-c2cnc3cc(CCCCCCCC)ccc3n2)cc1
InChIInChI=1S/C32H46N2/c1-3-5-7-9-11-12-14-15-17-27-19-22-29(23-20-27)32-26-33-31-25-28(21-24-30(31)34-32)18-16-13-10-8-6-4-2/h19-26H,3-18H2,1-2H3
InChIKeyGXFSYIVROBHSAG-UHFFFAOYSA-N
MW458.73 g/mol
LogP9.88
Rot. Bonds17

About 2-(4-decylphenyl)-6-octylquinoxaline

2-(4-decylphenyl)-6-octylquinoxaline (PubChem CID 59933390) has the molecular formula C32H46N2 and a molecular weight of 458.73 g/mol. Its IUPAC name is 2-(4-decylphenyl)-6-octylquinoxaline.

Molecular Properties

Compound Name2-(4-decylphenyl)-6-octylquinoxaline
PubChem CID59933390
Molecular FormulaC32H46N2
Molecular Weight458.73 g/mol
Exact Mass458.37
IUPAC Name2-(4-decylphenyl)-6-octylquinoxaline
SMILESCCCCCCCCCCc1ccc(-c2cnc3cc(CCCCCCCC)ccc3n2)cc1
InChIInChI=1S/C32H46N2/c1-3-5-7-9-11-12-14-15-17-27-19-22-29(23-20-27)32-26-33-31-25-28(21-24-30(31)34-32)18-16-13-10-8-6-4-2/h19-26H,3-18H2,1-2H3
InChIKeyGXFSYIVROBHSAG-UHFFFAOYSA-N
XLogP9.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.73
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822
2,5-bis(4-octylphenyl)pyridine
CID 139839621
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812
2-(4-decoxyphenyl)-6-octylquinoline
CID 67893738
5-octyl-2-(4-octylphenyl)pyrimidine
CID 18544772
2-(4-dodecylphenyl)-5-pentadecylpyrimidine
CID 139803541
5-hexyl-2-(4-nonylphenyl)pyrimidine
CID 14227569
5-tetradecyl-2-(4-tridecylphenyl)pyrimidine
CID 139803490
5-dodecyl-2-(4-hexylphenyl)pyrimidine
CID 139803450
5-heptyl-2-(4-tridecylphenyl)pyrimidine
CID 139803426
2-(4-decylphenyl)-5-pentadecylpyrimidine
CID 139803474

Frequently Asked Questions

What is the IUPAC name of 2-(4-decylphenyl)-6-octylquinoxaline?
The IUPAC name of 2-(4-decylphenyl)-6-octylquinoxaline (CID 59933390) is 2-(4-decylphenyl)-6-octylquinoxaline.
What is the SMILES notation for 2-(4-decylphenyl)-6-octylquinoxaline?
The canonical SMILES for 2-(4-decylphenyl)-6-octylquinoxaline is CCCCCCCCCCc1ccc(-c2cnc3cc(CCCCCCCC)ccc3n2)cc1.
What is the InChIKey of 2-(4-decylphenyl)-6-octylquinoxaline?
The InChIKey is GXFSYIVROBHSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N2/c1-3-5-7-9-11-12-14-15-17-27-19-22-29(23-20-27)32-26-33-31-25-28(21-24-30(31)34-32)18-16-13-10-8-6-4-2/h19-26H,3-18H2,1-2H3.
What are the key properties of 2-(4-decylphenyl)-6-octylquinoxaline?
2-(4-decylphenyl)-6-octylquinoxaline has a molecular weight of 458.73 g/mol, XLogP of 9.88, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-decylphenyl)-6-octylquinoxaline is sourced from PubChem (CID 59933390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).