2,3-bis(4-hexoxyphenyl)quinoxaline

C32H38N2O2 — CID 91564570

IUPAC2,3-bis(4-hexoxyphenyl)quinoxaline
SMILESCCCCCCOc1ccc(-c2nc3ccccc3nc2-c2ccc(OCCCCCC)cc2)cc1
InChIInChI=1S/C32H38N2O2/c1-3-5-7-11-23-35-27-19-15-25(16-20-27)31-32(34-30-14-10-9-13-29(30)33-31)26-17-21-28(22-18-26)36-24-12-8-6-4-2/h9-10,13-22H,3-8,11-12,23-24H2,1-2H3
InChIKeyROHIKXIJUJMVAX-UHFFFAOYSA-N
MW482.67 g/mol
LogP8.88
Rot. Bonds14

About 2,3-bis(4-hexoxyphenyl)quinoxaline

2,3-bis(4-hexoxyphenyl)quinoxaline (PubChem CID 91564570) has the molecular formula C32H38N2O2 and a molecular weight of 482.67 g/mol. Its IUPAC name is 2,3-bis(4-hexoxyphenyl)quinoxaline.

Molecular Properties

Compound Name2,3-bis(4-hexoxyphenyl)quinoxaline
PubChem CID91564570
Molecular FormulaC32H38N2O2
Molecular Weight482.67 g/mol
Exact Mass482.29
IUPAC Name2,3-bis(4-hexoxyphenyl)quinoxaline
SMILESCCCCCCOc1ccc(-c2nc3ccccc3nc2-c2ccc(OCCCCCC)cc2)cc1
InChIInChI=1S/C32H38N2O2/c1-3-5-7-11-23-35-27-19-15-25(16-20-27)31-32(34-30-14-10-9-13-29(30)33-31)26-17-21-28(22-18-26)36-24-12-8-6-4-2/h9-10,13-22H,3-8,11-12,23-24H2,1-2H3
InChIKeyROHIKXIJUJMVAX-UHFFFAOYSA-N
XLogP8.88
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.67
LogP ≤ 58.88
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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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-hexoxyphenyl)quinoxaline?
The IUPAC name of 2,3-bis(4-hexoxyphenyl)quinoxaline (CID 91564570) is 2,3-bis(4-hexoxyphenyl)quinoxaline.
What is the SMILES notation for 2,3-bis(4-hexoxyphenyl)quinoxaline?
The canonical SMILES for 2,3-bis(4-hexoxyphenyl)quinoxaline is CCCCCCOc1ccc(-c2nc3ccccc3nc2-c2ccc(OCCCCCC)cc2)cc1.
What is the InChIKey of 2,3-bis(4-hexoxyphenyl)quinoxaline?
The InChIKey is ROHIKXIJUJMVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O2/c1-3-5-7-11-23-35-27-19-15-25(16-20-27)31-32(34-30-14-10-9-13-29(30)33-31)26-17-21-28(22-18-26)36-24-12-8-6-4-2/h9-10,13-22H,3-8,11-12,23-24H2,1-2H3.
What are the key properties of 2,3-bis(4-hexoxyphenyl)quinoxaline?
2,3-bis(4-hexoxyphenyl)quinoxaline has a molecular weight of 482.67 g/mol, XLogP of 8.88, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-hexoxyphenyl)quinoxaline is sourced from PubChem (CID 91564570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).