3-phenylbenzo[g]quinoxaline

C18H12N2 — CID 667566

IUPAC3-phenylbenzo[g]quinoxaline
SMILESc1ccc(-c2cnc3cc4ccccc4cc3n2)cc1
InChIInChI=1S/C18H12N2/c1-2-6-13(7-3-1)18-12-19-16-10-14-8-4-5-9-15(14)11-17(16)20-18/h1-12H
InChIKeyNZFXNLXEQRQPJT-UHFFFAOYSA-N
MW256.31 g/mol
LogP4.45
Rot. Bonds1

About 3-phenylbenzo[g]quinoxaline

3-phenylbenzo[g]quinoxaline (PubChem CID 667566) has the molecular formula C18H12N2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-phenylbenzo[g]quinoxaline.

Molecular Properties

Compound Name3-phenylbenzo[g]quinoxaline
PubChem CID667566
Molecular FormulaC18H12N2
Molecular Weight256.31 g/mol
Exact Mass256.10
IUPAC Name3-phenylbenzo[g]quinoxaline
SMILESc1ccc(-c2cnc3cc4ccccc4cc3n2)cc1
InChIInChI=1S/C18H12N2/c1-2-6-13(7-3-1)18-12-19-16-10-14-8-4-5-9-15(14)11-17(16)20-18/h1-12H
InChIKeyNZFXNLXEQRQPJT-UHFFFAOYSA-N
XLogP4.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-phenylbenzo[g]quinoxaline?
The IUPAC name of 3-phenylbenzo[g]quinoxaline (CID 667566) is 3-phenylbenzo[g]quinoxaline.
What is the SMILES notation for 3-phenylbenzo[g]quinoxaline?
The canonical SMILES for 3-phenylbenzo[g]quinoxaline is c1ccc(-c2cnc3cc4ccccc4cc3n2)cc1.
What is the InChIKey of 3-phenylbenzo[g]quinoxaline?
The InChIKey is NZFXNLXEQRQPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2/c1-2-6-13(7-3-1)18-12-19-16-10-14-8-4-5-9-15(14)11-17(16)20-18/h1-12H.
What are the key properties of 3-phenylbenzo[g]quinoxaline?
3-phenylbenzo[g]quinoxaline has a molecular weight of 256.31 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylbenzo[g]quinoxaline is sourced from PubChem (CID 667566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).