2,3-bis(4-methoxyphenyl)benzo[g]quinoxaline

C26H20N2O2 — CID 10318350

IUPAC2,3-bis(4-methoxyphenyl)benzo[g]quinoxaline
SMILESCOc1ccc(-c2nc3cc4ccccc4cc3nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H20N2O2/c1-29-21-11-7-17(8-12-21)25-26(18-9-13-22(30-2)14-10-18)28-24-16-20-6-4-3-5-19(20)15-23(24)27-25/h3-16H,1-2H3
InChIKeyVYMRAFMGGMNLRZ-UHFFFAOYSA-N
MW392.46 g/mol
LogP6.13
Rot. Bonds4

About 2,3-bis(4-methoxyphenyl)benzo[g]quinoxaline

2,3-bis(4-methoxyphenyl)benzo[g]quinoxaline (PubChem CID 10318350) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2,3-bis(4-methoxyphenyl)benzo[g]quinoxaline.

Molecular Properties

Compound Name2,3-bis(4-methoxyphenyl)benzo[g]quinoxaline
PubChem CID10318350
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC Name2,3-bis(4-methoxyphenyl)benzo[g]quinoxaline
SMILESCOc1ccc(-c2nc3cc4ccccc4cc3nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H20N2O2/c1-29-21-11-7-17(8-12-21)25-26(18-9-13-22(30-2)14-10-18)28-24-16-20-6-4-3-5-19(20)15-23(24)27-25/h3-16H,1-2H3
InChIKeyVYMRAFMGGMNLRZ-UHFFFAOYSA-N
XLogP6.13
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-methoxyphenyl)benzo[g]quinoxaline?
The IUPAC name of 2,3-bis(4-methoxyphenyl)benzo[g]quinoxaline (CID 10318350) is 2,3-bis(4-methoxyphenyl)benzo[g]quinoxaline.
What is the SMILES notation for 2,3-bis(4-methoxyphenyl)benzo[g]quinoxaline?
The canonical SMILES for 2,3-bis(4-methoxyphenyl)benzo[g]quinoxaline is COc1ccc(-c2nc3cc4ccccc4cc3nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2,3-bis(4-methoxyphenyl)benzo[g]quinoxaline?
The InChIKey is VYMRAFMGGMNLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2/c1-29-21-11-7-17(8-12-21)25-26(18-9-13-22(30-2)14-10-18)28-24-16-20-6-4-3-5-19(20)15-23(24)27-25/h3-16H,1-2H3.
What are the key properties of 2,3-bis(4-methoxyphenyl)benzo[g]quinoxaline?
2,3-bis(4-methoxyphenyl)benzo[g]quinoxaline has a molecular weight of 392.46 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methoxyphenyl)benzo[g]quinoxaline is sourced from PubChem (CID 10318350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).