2-(4-ethylphenyl)-3-(4-fluorophenyl)benzo[g]quinoxaline;4-[3-(4-methoxyphenyl)benzo[g]quinoxalin-2-yl]phenol

C51H37FN4O2 — CID 177047062

IUPAC2-(4-ethylphenyl)-3-(4-fluorophenyl)benzo[g]quinoxaline;4-[3-(4-methoxyphenyl)benzo[g]quinoxalin-2-yl]phenol
SMILESCCc1ccc(-c2nc3cc4ccccc4cc3nc2-c2ccc(F)cc2)cc1.COc1ccc(-c2nc3cc4ccccc4cc3nc2-c2ccc(O)cc2)cc1
InChIInChI=1S/C26H19FN2.C25H18N2O2/c1-2-17-7-9-18(10-8-17)25-26(19-11-13-22(27)14-12-19)29-24-16-21-6-4-3-5-20(21)15-23(24)28-25;1-29-21-12-8-17(9-13-21)25-24(16-6-10-20(28)11-7-16)26-22-14-18-4-2-3-5-19(18)15-23(22)27-25/h3-16H,2H2,1H3;2-15,28H,1H3
InChIKeyXCFYSBLZCCDJKK-UHFFFAOYSA-N
MW756.88 g/mol
LogP12.65
Rot. Bonds6

About 2-(4-ethylphenyl)-3-(4-fluorophenyl)benzo[g]quinoxaline;4-[3-(4-methoxyphenyl)benzo[g]quinoxalin-2-yl]phenol

2-(4-ethylphenyl)-3-(4-fluorophenyl)benzo[g]quinoxaline;4-[3-(4-methoxyphenyl)benzo[g]quinoxalin-2-yl]phenol (PubChem CID 177047062) has the molecular formula C51H37FN4O2 and a molecular weight of 756.88 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-3-(4-fluorophenyl)benzo[g]quinoxaline;4-[3-(4-methoxyphenyl)benzo[g]quinoxalin-2-yl]phenol.

Molecular Properties

Compound Name2-(4-ethylphenyl)-3-(4-fluorophenyl)benzo[g]quinoxaline;4-[3-(4-methoxyphenyl)benzo[g]quinoxalin-2-yl]phenol
PubChem CID177047062
Molecular FormulaC51H37FN4O2
Molecular Weight756.88 g/mol
Exact Mass756.29
IUPAC Name2-(4-ethylphenyl)-3-(4-fluorophenyl)benzo[g]quinoxaline;4-[3-(4-methoxyphenyl)benzo[g]quinoxalin-2-yl]phenol
SMILESCCc1ccc(-c2nc3cc4ccccc4cc3nc2-c2ccc(F)cc2)cc1.COc1ccc(-c2nc3cc4ccccc4cc3nc2-c2ccc(O)cc2)cc1
InChIInChI=1S/C26H19FN2.C25H18N2O2/c1-2-17-7-9-18(10-8-17)25-26(19-11-13-22(27)14-12-19)29-24-16-21-6-4-3-5-20(21)15-23(24)28-25;1-29-21-12-8-17(9-13-21)25-24(16-6-10-20(28)11-7-16)26-22-14-18-4-2-3-5-19(18)15-23(22)27-25/h3-16H,2H2,1H3;2-15,28H,1H3
InChIKeyXCFYSBLZCCDJKK-UHFFFAOYSA-N
XLogP12.65
TPSA81.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.88
LogP ≤ 512.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(4-ethylphenyl)-3-(4-fluorophenyl)benzo[g]quinoxaline;4-[3-(4-methoxyphenyl)benzo[g]quinoxalin-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[3-(4-methoxyphenyl)benzo[g]quinoxalin-2-yl]phenyl]methanol
CID 162475875
2,3-bis(4-methoxyphenyl)naphtho[2,3-g]quinoxaline
CID 121258930
2,3-bis(4-methoxyphenyl)naphtho[2,3-g]quinoxaline;methane
CID 145053980
anisole;ethane;4-ethylphenol;2-methylpropane
CID 169174728
3-(4-ethylphenyl)-2-phenylquinoxalin-5-ol
CID 136657429
4-[3-(4-hydroxy-3-methoxyphenyl)benzo[g]quinoxalin-2-yl]-2-methoxyphenol
CID 1309066
bis(1,4-diethylbenzene);tris(naphthalen-2-ol)
CID 90749949
1-methoxy-4-phenylbenzene;4-(4-methoxyphenyl)phenol
CID 69347648
1,3-diethylbenzene;1,4-diethylbenzene;1,4-dimethoxybenzene;1-ethyl-4-methoxybenzene;1-methoxy-4-(4-methoxyphenyl)benzene;pentahydrate
CID 159257334
1-ethyl-4-(4-fluorophenyl)benzene
CID 21432911
3-(4-ethylphenyl)-5-methoxyphenol
CID 53220748
N'-[2-(4-fluorophenyl)acetyl]-2-(4-methoxyphenyl)quinoline-4-carbohydrazide
CID 26657004

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-3-(4-fluorophenyl)benzo[g]quinoxaline;4-[3-(4-methoxyphenyl)benzo[g]quinoxalin-2-yl]phenol?
The IUPAC name of 2-(4-ethylphenyl)-3-(4-fluorophenyl)benzo[g]quinoxaline;4-[3-(4-methoxyphenyl)benzo[g]quinoxalin-2-yl]phenol (CID 177047062) is 2-(4-ethylphenyl)-3-(4-fluorophenyl)benzo[g]quinoxaline;4-[3-(4-methoxyphenyl)benzo[g]quinoxalin-2-yl]phenol.
What is the SMILES notation for 2-(4-ethylphenyl)-3-(4-fluorophenyl)benzo[g]quinoxaline;4-[3-(4-methoxyphenyl)benzo[g]quinoxalin-2-yl]phenol?
The canonical SMILES for 2-(4-ethylphenyl)-3-(4-fluorophenyl)benzo[g]quinoxaline;4-[3-(4-methoxyphenyl)benzo[g]quinoxalin-2-yl]phenol is CCc1ccc(-c2nc3cc4ccccc4cc3nc2-c2ccc(F)cc2)cc1.COc1ccc(-c2nc3cc4ccccc4cc3nc2-c2ccc(O)cc2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-3-(4-fluorophenyl)benzo[g]quinoxaline;4-[3-(4-methoxyphenyl)benzo[g]quinoxalin-2-yl]phenol?
The InChIKey is XCFYSBLZCCDJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN2.C25H18N2O2/c1-2-17-7-9-18(10-8-17)25-26(19-11-13-22(27)14-12-19)29-24-16-21-6-4-3-5-20(21)15-23(24)28-25;1-29-21-12-8-17(9-13-21)25-24(16-6-10-20(28)11-7-16)26-22-14-18-4-2-3-5-19(18)15-23(22)27-25/h3-16H,2H2,1H3;2-15,28H,1H3.
What are the key properties of 2-(4-ethylphenyl)-3-(4-fluorophenyl)benzo[g]quinoxaline;4-[3-(4-methoxyphenyl)benzo[g]quinoxalin-2-yl]phenol?
2-(4-ethylphenyl)-3-(4-fluorophenyl)benzo[g]quinoxaline;4-[3-(4-methoxyphenyl)benzo[g]quinoxalin-2-yl]phenol has a molecular weight of 756.88 g/mol, XLogP of 12.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-3-(4-fluorophenyl)benzo[g]quinoxaline;4-[3-(4-methoxyphenyl)benzo[g]quinoxalin-2-yl]phenol is sourced from PubChem (CID 177047062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).