5,10-dibromo-2,3,7,8-tetrakis[4-(trifluoromethyl)phenyl]pyrazino[2,3-g]quinoxaline

C38H16Br2F12N4 — CID 176528078

About 5,10-dibromo-2,3,7,8-tetrakis[4-(trifluoromethyl)phenyl]pyrazino[2,3-g]quinoxaline

5,10-dibromo-2,3,7,8-tetrakis[4-(trifluoromethyl)phenyl]pyrazino[2,3-g]quinoxaline (PubChem CID 176528078) has the molecular formula C38H16Br2F12N4 and a molecular weight of 916.36 g/mol. Its IUPAC name is 5,10-dibromo-2,3,7,8-tetrakis[4-(trifluoromethyl)phenyl]pyrazino[2,3-g]quinoxaline.

Molecular Properties

• Compound Name: 5,10-dibromo-2,3,7,8-tetrakis[4-(trifluoromethyl)phenyl]pyrazino[2,3-g]quinoxaline
• PubChem CID: 176528078
• Molecular Formula: C38H16Br2F12N4
• Molecular Weight: 916.36 g/mol
• Exact Mass: 913.96
• IUPAC Name: 5,10-dibromo-2,3,7,8-tetrakis[4-(trifluoromethyl)phenyl]pyrazino[2,3-g]quinoxaline
• SMILES: FC(F)(F)c1ccc(-c2nc3c(Br)c4nc(-c5ccc(C(F)(F)F)cc5)c(-c5ccc(C(F)(F)F)cc5)nc4c(Br)c3nc2-c2ccc(C(F)(F)F)cc2)cc1
• InChI: InChI=1S/C38H16Br2F12N4/c39-25-31-32(54-28(18-3-11-22(12-4-18)36(44,45)46)27(53-31)17-1-9-21(10-2-17)35(41,42)43)26(40)34-33(25)55-29(19-5-13-23(14-6-19)37(47,48)49)30(56-34)20-7-15-24(16-8-20)38(50,51)52/h1-16H
• InChIKey: LJRHCQAYWADNOO-UHFFFAOYSA-N
• XLogP: 13.84
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	916.36
LogP ≤ 5	13.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,10-dibromo-2,3,7,8-tetrakis[4-(trifluoromethyl)phenyl]pyrazino[2,3-g]quinoxaline?

The IUPAC name of 5,10-dibromo-2,3,7,8-tetrakis[4-(trifluoromethyl)phenyl]pyrazino[2,3-g]quinoxaline (CID 176528078) is 5,10-dibromo-2,3,7,8-tetrakis[4-(trifluoromethyl)phenyl]pyrazino[2,3-g]quinoxaline.

What is the SMILES notation for 5,10-dibromo-2,3,7,8-tetrakis[4-(trifluoromethyl)phenyl]pyrazino[2,3-g]quinoxaline?

The canonical SMILES for 5,10-dibromo-2,3,7,8-tetrakis[4-(trifluoromethyl)phenyl]pyrazino[2,3-g]quinoxaline is FC(F)(F)c1ccc(-c2nc3c(Br)c4nc(-c5ccc(C(F)(F)F)cc5)c(-c5ccc(C(F)(F)F)cc5)nc4c(Br)c3nc2-c2ccc(C(F)(F)F)cc2)cc1.

What is the InChIKey of 5,10-dibromo-2,3,7,8-tetrakis[4-(trifluoromethyl)phenyl]pyrazino[2,3-g]quinoxaline?

The InChIKey is LJRHCQAYWADNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H16Br2F12N4/c39-25-31-32(54-28(18-3-11-22(12-4-18)36(44,45)46)27(53-31)17-1-9-21(10-2-17)35(41,42)43)26(40)34-33(25)55-29(19-5-13-23(14-6-19)37(47,48)49)30(56-34)20-7-15-24(16-8-20)38(50,51)52/h1-16H.

What are the key properties of 5,10-dibromo-2,3,7,8-tetrakis[4-(trifluoromethyl)phenyl]pyrazino[2,3-g]quinoxaline?

5,10-dibromo-2,3,7,8-tetrakis[4-(trifluoromethyl)phenyl]pyrazino[2,3-g]quinoxaline has a molecular weight of 916.36 g/mol, XLogP of 13.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5,10-dibromo-2,3,7,8-tetrakis[4-(trifluoromethyl)phenyl]pyrazino[2,3-g]quinoxaline is sourced from PubChem (CID 176528078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).