2-[4-(2-bromophenyl)phenyl]-3-(4-naphthalen-2-ylphenyl)quinoxaline

C36H23BrN2 — CID 175102190

IUPAC2-[4-(2-bromophenyl)phenyl]-3-(4-naphthalen-2-ylphenyl)quinoxaline
SMILESBrc1ccccc1-c1ccc(-c2nc3ccccc3nc2-c2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C36H23BrN2/c37-32-10-4-3-9-31(32)26-16-20-28(21-17-26)36-35(38-33-11-5-6-12-34(33)39-36)27-18-13-25(14-19-27)30-22-15-24-7-1-2-8-29(24)23-30/h1-23H
InChIKeyNKTLGYYZTGEOOC-UHFFFAOYSA-N
MW563.50 g/mol
LogP10.21
Rot. Bonds4

About 2-[4-(2-bromophenyl)phenyl]-3-(4-naphthalen-2-ylphenyl)quinoxaline

2-[4-(2-bromophenyl)phenyl]-3-(4-naphthalen-2-ylphenyl)quinoxaline (PubChem CID 175102190) has the molecular formula C36H23BrN2 and a molecular weight of 563.50 g/mol. Its IUPAC name is 2-[4-(2-bromophenyl)phenyl]-3-(4-naphthalen-2-ylphenyl)quinoxaline.

Molecular Properties

Compound Name2-[4-(2-bromophenyl)phenyl]-3-(4-naphthalen-2-ylphenyl)quinoxaline
PubChem CID175102190
Molecular FormulaC36H23BrN2
Molecular Weight563.50 g/mol
Exact Mass562.10
IUPAC Name2-[4-(2-bromophenyl)phenyl]-3-(4-naphthalen-2-ylphenyl)quinoxaline
SMILESBrc1ccccc1-c1ccc(-c2nc3ccccc3nc2-c2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C36H23BrN2/c37-32-10-4-3-9-31(32)26-16-20-28(21-17-26)36-35(38-33-11-5-6-12-34(33)39-36)27-18-13-25(14-19-27)30-22-15-24-7-1-2-8-29(24)23-30/h1-23H
InChIKeyNKTLGYYZTGEOOC-UHFFFAOYSA-N
XLogP10.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.50
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-(2-bromophenyl)phenyl]-3-(4-naphthalen-2-ylphenyl)quinoxaline 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

5-(4-naphthalen-2-ylphenyl)-2,3-diphenylquinoxaline
CID 146334552
2,3-bis(3-phenylphenyl)quinoxaline;2,3-bis(4-phenylphenyl)quinoxaline;5-(3,5-dinaphthalen-2-ylphenyl)-2,3-diphenylquinoxaline;5-(4-naphthalen-2-ylphenyl)-2,3-diphenylquinoxaline
CID 159465562
2-[2-(4-bromophenyl)phenyl]naphthalene
CID 134433047
2-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline
CID 153244283
2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline
CID 164956800
2-(2,5-dibromophenyl)-3-phenylquinoxaline
CID 101356816
2-[2-[4-(4-chlorophenyl)phenyl]phenyl]naphthalene
CID 178067173
2-[6-(2,5-diphenylphenyl)naphthalen-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164745860
2-(4-naphthalen-2-ylphenyl)aniline
CID 150273295
benzo[f]azulene
CID 13065869
2-phenyl-3-(3-phenylphenyl)quinoxaline
CID 175058958
2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 169297350

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromophenyl)phenyl]-3-(4-naphthalen-2-ylphenyl)quinoxaline?
The IUPAC name of 2-[4-(2-bromophenyl)phenyl]-3-(4-naphthalen-2-ylphenyl)quinoxaline (CID 175102190) is 2-[4-(2-bromophenyl)phenyl]-3-(4-naphthalen-2-ylphenyl)quinoxaline.
What is the SMILES notation for 2-[4-(2-bromophenyl)phenyl]-3-(4-naphthalen-2-ylphenyl)quinoxaline?
The canonical SMILES for 2-[4-(2-bromophenyl)phenyl]-3-(4-naphthalen-2-ylphenyl)quinoxaline is Brc1ccccc1-c1ccc(-c2nc3ccccc3nc2-c2ccc(-c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of 2-[4-(2-bromophenyl)phenyl]-3-(4-naphthalen-2-ylphenyl)quinoxaline?
The InChIKey is NKTLGYYZTGEOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23BrN2/c37-32-10-4-3-9-31(32)26-16-20-28(21-17-26)36-35(38-33-11-5-6-12-34(33)39-36)27-18-13-25(14-19-27)30-22-15-24-7-1-2-8-29(24)23-30/h1-23H.
What are the key properties of 2-[4-(2-bromophenyl)phenyl]-3-(4-naphthalen-2-ylphenyl)quinoxaline?
2-[4-(2-bromophenyl)phenyl]-3-(4-naphthalen-2-ylphenyl)quinoxaline has a molecular weight of 563.50 g/mol, XLogP of 10.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromophenyl)phenyl]-3-(4-naphthalen-2-ylphenyl)quinoxaline is sourced from PubChem (CID 175102190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).