2,3-bis(4-fluorophenyl)quinoxaline;2,3-bis(4-methoxyphenyl)-6-methylquinoxaline;5-methyl-2,3-diphenylquinoxaline;6-methyl-2,3-diphenylquinoxaline;methyl 2,3-diphenylquinoxaline-6-carboxylate;6-methyl-2,3-dipyridin-2-ylquinoxaline;11-methylphenanthro[9,10-b]quinoxaline

C147H108F2N16O4 — CID 161051604

About 2,3-bis(4-fluorophenyl)quinoxaline;2,3-bis(4-methoxyphenyl)-6-methylquinoxaline;5-methyl-2,3-diphenylquinoxaline;6-methyl-2,3-diphenylquinoxaline;methyl 2,3-diphenylquinoxaline-6-carboxylate;6-methyl-2,3-dipyridin-2-ylquinoxaline;11-methylphenanthro[9,10-b]quinoxaline

2,3-bis(4-fluorophenyl)quinoxaline;2,3-bis(4-methoxyphenyl)-6-methylquinoxaline;5-methyl-2,3-diphenylquinoxaline;6-methyl-2,3-diphenylquinoxaline;methyl 2,3-diphenylquinoxaline-6-carboxylate;6-methyl-2,3-dipyridin-2-ylquinoxaline;11-methylphenanthro[9,10-b]quinoxaline (PubChem CID 161051604) has the molecular formula C147H108F2N16O4 and a molecular weight of 2200.58 g/mol. Its IUPAC name is 2,3-bis(4-fluorophenyl)quinoxaline;2,3-bis(4-methoxyphenyl)-6-methylquinoxaline;5-methyl-2,3-diphenylquinoxaline;6-methyl-2,3-diphenylquinoxaline;methyl 2,3-diphenylquinoxaline-6-carboxylate;6-methyl-2,3-dipyridin-2-ylquinoxaline;11-methylphenanthro[9,10-b]quinoxaline.

Molecular Properties

• Compound Name: 2,3-bis(4-fluorophenyl)quinoxaline;2,3-bis(4-methoxyphenyl)-6-methylquinoxaline;5-methyl-2,3-diphenylquinoxaline;6-methyl-2,3-diphenylquinoxaline;methyl 2,3-diphenylquinoxaline-6-carboxylate;6-methyl-2,3-dipyridin-2-ylquinoxaline;11-methylphenanthro[9,10-b]quinoxaline
• PubChem CID: 161051604
• Molecular Formula: C147H108F2N16O4
• Molecular Weight: 2200.58 g/mol
• Exact Mass: 2198.87
• IUPAC Name: 2,3-bis(4-fluorophenyl)quinoxaline;2,3-bis(4-methoxyphenyl)-6-methylquinoxaline;5-methyl-2,3-diphenylquinoxaline;6-methyl-2,3-diphenylquinoxaline;methyl 2,3-diphenylquinoxaline-6-carboxylate;6-methyl-2,3-dipyridin-2-ylquinoxaline;11-methylphenanthro[9,10-b]quinoxaline
• SMILES: COC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1.COc1ccc(-c2nc3ccc(C)cc3nc2-c2ccc(OC)cc2)cc1.Cc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1.Cc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1.Cc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1.Cc1cccc2nc(-c3ccccc3)c(-c3ccccc3)nc12.Fc1ccc(-c2nc3ccccc3nc2-c2ccc(F)cc2)cc1
• InChI: InChI=1S/C23H20N2O2.C22H16N2O2.C21H14N2.2C21H16N2.C20H12F2N2.C19H14N4/c1-15-4-13-20-21(14-15)25-23(17-7-11-19(27-3)12-8-17)22(24-20)16-5-9-18(26-2)10-6-16;1-26-22(25)17-12-13-18-19(14-17)24-21(16-10-6-3-7-11-16)20(23-18)15-8-4-2-5-9-15;1-13-10-11-18-19(12-13)23-21-17-9-5-3-7-15(17)14-6-2-4-8-16(14)20(21)22-18;1-15-9-8-14-18-19(15)23-21(17-12-6-3-7-13-17)20(22-18)16-10-4-2-5-11-16;1-15-12-13-18-19(14-15)23-21(17-10-6-3-7-11-17)20(22-18)16-8-4-2-5-9-16;21-15-9-5-13(6-10-15)19-20(14-7-11-16(22)12-8-14)24-18-4-2-1-3-17(18)23-19;1-13-8-9-14-17(12-13)23-19(16-7-3-5-11-21-16)18(22-14)15-6-2-4-10-20-15/h4-14H,1-3H3;2-14H,1H3;2-12H,1H3;2*2-14H,1H3;1-12H;2-12H,1H3
• InChIKey: UCFCGIDFYYJENM-UHFFFAOYSA-N
• XLogP: 35.29
• TPSA: 251.00 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2200.58
LogP ≤ 5	35.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-fluorophenyl)quinoxaline;2,3-bis(4-methoxyphenyl)-6-methylquinoxaline;5-methyl-2,3-diphenylquinoxaline;6-methyl-2,3-diphenylquinoxaline;methyl 2,3-diphenylquinoxaline-6-carboxylate;6-methyl-2,3-dipyridin-2-ylquinoxaline;11-methylphenanthro[9,10-b]quinoxaline?

The IUPAC name of 2,3-bis(4-fluorophenyl)quinoxaline;2,3-bis(4-methoxyphenyl)-6-methylquinoxaline;5-methyl-2,3-diphenylquinoxaline;6-methyl-2,3-diphenylquinoxaline;methyl 2,3-diphenylquinoxaline-6-carboxylate;6-methyl-2,3-dipyridin-2-ylquinoxaline;11-methylphenanthro[9,10-b]quinoxaline (CID 161051604) is 2,3-bis(4-fluorophenyl)quinoxaline;2,3-bis(4-methoxyphenyl)-6-methylquinoxaline;5-methyl-2,3-diphenylquinoxaline;6-methyl-2,3-diphenylquinoxaline;methyl 2,3-diphenylquinoxaline-6-carboxylate;6-methyl-2,3-dipyridin-2-ylquinoxaline;11-methylphenanthro[9,10-b]quinoxaline.

What is the SMILES notation for 2,3-bis(4-fluorophenyl)quinoxaline;2,3-bis(4-methoxyphenyl)-6-methylquinoxaline;5-methyl-2,3-diphenylquinoxaline;6-methyl-2,3-diphenylquinoxaline;methyl 2,3-diphenylquinoxaline-6-carboxylate;6-methyl-2,3-dipyridin-2-ylquinoxaline;11-methylphenanthro[9,10-b]quinoxaline?

The canonical SMILES for 2,3-bis(4-fluorophenyl)quinoxaline;2,3-bis(4-methoxyphenyl)-6-methylquinoxaline;5-methyl-2,3-diphenylquinoxaline;6-methyl-2,3-diphenylquinoxaline;methyl 2,3-diphenylquinoxaline-6-carboxylate;6-methyl-2,3-dipyridin-2-ylquinoxaline;11-methylphenanthro[9,10-b]quinoxaline is COC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1.COc1ccc(-c2nc3ccc(C)cc3nc2-c2ccc(OC)cc2)cc1.Cc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1.Cc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1.Cc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1.Cc1cccc2nc(-c3ccccc3)c(-c3ccccc3)nc12.Fc1ccc(-c2nc3ccccc3nc2-c2ccc(F)cc2)cc1.

What is the InChIKey of 2,3-bis(4-fluorophenyl)quinoxaline;2,3-bis(4-methoxyphenyl)-6-methylquinoxaline;5-methyl-2,3-diphenylquinoxaline;6-methyl-2,3-diphenylquinoxaline;methyl 2,3-diphenylquinoxaline-6-carboxylate;6-methyl-2,3-dipyridin-2-ylquinoxaline;11-methylphenanthro[9,10-b]quinoxaline?

The InChIKey is UCFCGIDFYYJENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2.C22H16N2O2.C21H14N2.2C21H16N2.C20H12F2N2.C19H14N4/c1-15-4-13-20-21(14-15)25-23(17-7-11-19(27-3)12-8-17)22(24-20)16-5-9-18(26-2)10-6-16;1-26-22(25)17-12-13-18-19(14-17)24-21(16-10-6-3-7-11-16)20(23-18)15-8-4-2-5-9-15;1-13-10-11-18-19(12-13)23-21-17-9-5-3-7-15(17)14-6-2-4-8-16(14)20(21)22-18;1-15-9-8-14-18-19(15)23-21(17-12-6-3-7-13-17)20(22-18)16-10-4-2-5-11-16;1-15-12-13-18-19(14-15)23-21(17-10-6-3-7-11-17)20(22-18)16-8-4-2-5-9-16;21-15-9-5-13(6-10-15)19-20(14-7-11-16(22)12-8-14)24-18-4-2-1-3-17(18)23-19;1-13-8-9-14-17(12-13)23-19(16-7-3-5-11-21-16)18(22-14)15-6-2-4-10-20-15/h4-14H,1-3H3;2-14H,1H3;2-12H,1H3;2*2-14H,1H3;1-12H;2-12H,1H3.

What are the key properties of 2,3-bis(4-fluorophenyl)quinoxaline;2,3-bis(4-methoxyphenyl)-6-methylquinoxaline;5-methyl-2,3-diphenylquinoxaline;6-methyl-2,3-diphenylquinoxaline;methyl 2,3-diphenylquinoxaline-6-carboxylate;6-methyl-2,3-dipyridin-2-ylquinoxaline;11-methylphenanthro[9,10-b]quinoxaline?

2,3-bis(4-fluorophenyl)quinoxaline;2,3-bis(4-methoxyphenyl)-6-methylquinoxaline;5-methyl-2,3-diphenylquinoxaline;6-methyl-2,3-diphenylquinoxaline;methyl 2,3-diphenylquinoxaline-6-carboxylate;6-methyl-2,3-dipyridin-2-ylquinoxaline;11-methylphenanthro[9,10-b]quinoxaline has a molecular weight of 2200.58 g/mol, XLogP of 35.29, 15 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-bis(4-fluorophenyl)quinoxaline;2,3-bis(4-methoxyphenyl)-6-methylquinoxaline;5-methyl-2,3-diphenylquinoxaline;6-methyl-2,3-diphenylquinoxaline;methyl 2,3-diphenylquinoxaline-6-carboxylate;6-methyl-2,3-dipyridin-2-ylquinoxaline;11-methylphenanthro[9,10-b]quinoxaline is sourced from PubChem (CID 161051604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).