3-dibenzofuran-4-yl-2-methylbenzo[g]quinoxaline

C25H16N2O — CID 159945205

IUPAC3-dibenzofuran-4-yl-2-methylbenzo[g]quinoxaline
SMILESCc1nc2cc3ccccc3cc2nc1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C25H16N2O/c1-15-24(27-22-14-17-8-3-2-7-16(17)13-21(22)26-15)20-11-6-10-19-18-9-4-5-12-23(18)28-25(19)20/h2-14H,1H3
InChIKeyMJYLQLXGWMAYKF-UHFFFAOYSA-N
MW360.42 g/mol
LogP6.66
Rot. Bonds1

About 3-dibenzofuran-4-yl-2-methylbenzo[g]quinoxaline

3-dibenzofuran-4-yl-2-methylbenzo[g]quinoxaline (PubChem CID 159945205) has the molecular formula C25H16N2O and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-2-methylbenzo[g]quinoxaline.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-2-methylbenzo[g]quinoxaline
PubChem CID159945205
Molecular FormulaC25H16N2O
Molecular Weight360.42 g/mol
Exact Mass360.13
IUPAC Name3-dibenzofuran-4-yl-2-methylbenzo[g]quinoxaline
SMILESCc1nc2cc3ccccc3cc2nc1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C25H16N2O/c1-15-24(27-22-14-17-8-3-2-7-16(17)13-21(22)26-15)20-11-6-10-19-18-9-4-5-12-23(18)28-25(19)20/h2-14H,1H3
InChIKeyMJYLQLXGWMAYKF-UHFFFAOYSA-N
XLogP6.66
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.42
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-dibenzofuran-4-yl-1-(3-methylnaphthalen-2-yl)benzimidazole
CID 167339079
4-anthracen-9-yldibenzofuran
CID 167187282
12-(3-dibenzofuran-4-ylquinoxalin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 139361745
2-chloro-4-dibenzofuran-4-ylquinazoline
CID 89282885
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
1-dibenzofuran-4-yl-3,5-dimethylnaphtho[1,2-h]quinazoline
CID 162693383
2-dibenzofuran-4-yl-5-[3-(2-dibenzofuran-4-ylpyrimidin-5-yl)naphthalen-2-yl]pyrimidine
CID 118477908
2,4-di(dibenzofuran-4-yl)-5-ethenyl-6-(2-methylphenyl)pyrimidine
CID 175626911
3-(2-dibenzofuran-4-ylphenyl)-2-methylphenanthro[9,10-b]pyrazine;3-(2-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine;3-(4-dibenzofuran-4-ylphenyl)-2-phenylphenanthro[9,10-b]pyrazine
CID 160606052
4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran
CID 144568493
4-dibenzofuran-4-yl-6-methylbenzo[h]quinazoline
CID 162692391
4-dibenzofuran-4-yl-5-(3-phenylquinoxalin-2-yl)benzo[b]carbazole
CID 142569867

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-2-methylbenzo[g]quinoxaline?
The IUPAC name of 3-dibenzofuran-4-yl-2-methylbenzo[g]quinoxaline (CID 159945205) is 3-dibenzofuran-4-yl-2-methylbenzo[g]quinoxaline.
What is the SMILES notation for 3-dibenzofuran-4-yl-2-methylbenzo[g]quinoxaline?
The canonical SMILES for 3-dibenzofuran-4-yl-2-methylbenzo[g]quinoxaline is Cc1nc2cc3ccccc3cc2nc1-c1cccc2c1oc1ccccc12.
What is the InChIKey of 3-dibenzofuran-4-yl-2-methylbenzo[g]quinoxaline?
The InChIKey is MJYLQLXGWMAYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2O/c1-15-24(27-22-14-17-8-3-2-7-16(17)13-21(22)26-15)20-11-6-10-19-18-9-4-5-12-23(18)28-25(19)20/h2-14H,1H3.
What are the key properties of 3-dibenzofuran-4-yl-2-methylbenzo[g]quinoxaline?
3-dibenzofuran-4-yl-2-methylbenzo[g]quinoxaline has a molecular weight of 360.42 g/mol, XLogP of 6.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-2-methylbenzo[g]quinoxaline is sourced from PubChem (CID 159945205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).