5,6-bis[4-(4-bromophenyl)phenyl]-2,3-dihydropyrazine

C28H20Br2N2 — CID 58852573

IUPAC5,6-bis[4-(4-bromophenyl)phenyl]-2,3-dihydropyrazine
SMILESBrc1ccc(-c2ccc(C3=NCCN=C3c3ccc(-c4ccc(Br)cc4)cc3)cc2)cc1
InChIInChI=1S/C28H20Br2N2/c29-25-13-9-21(10-14-25)19-1-5-23(6-2-19)27-28(32-18-17-31-27)24-7-3-20(4-8-24)22-11-15-26(30)16-12-22/h1-16H,17-18H2
InChIKeyGMKHPATWNUNUNI-UHFFFAOYSA-N
MW544.29 g/mol
LogP7.84
Rot. Bonds4

About 5,6-bis[4-(4-bromophenyl)phenyl]-2,3-dihydropyrazine

5,6-bis[4-(4-bromophenyl)phenyl]-2,3-dihydropyrazine (PubChem CID 58852573) has the molecular formula C28H20Br2N2 and a molecular weight of 544.29 g/mol. Its IUPAC name is 5,6-bis[4-(4-bromophenyl)phenyl]-2,3-dihydropyrazine.

Molecular Properties

Compound Name5,6-bis[4-(4-bromophenyl)phenyl]-2,3-dihydropyrazine
PubChem CID58852573
Molecular FormulaC28H20Br2N2
Molecular Weight544.29 g/mol
Exact Mass542.00
IUPAC Name5,6-bis[4-(4-bromophenyl)phenyl]-2,3-dihydropyrazine
SMILESBrc1ccc(-c2ccc(C3=NCCN=C3c3ccc(-c4ccc(Br)cc4)cc3)cc2)cc1
InChIInChI=1S/C28H20Br2N2/c29-25-13-9-21(10-14-25)19-1-5-23(6-2-19)27-28(32-18-17-31-27)24-7-3-20(4-8-24)22-11-15-26(30)16-12-22/h1-16H,17-18H2
InChIKeyGMKHPATWNUNUNI-UHFFFAOYSA-N
XLogP7.84
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.29
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,6-bis[4-(4-bromophenyl)phenyl]-2,3-dihydropyrazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-bis[4-(4-bromophenyl)phenyl]-2,3-dihydropyrazine?
The IUPAC name of 5,6-bis[4-(4-bromophenyl)phenyl]-2,3-dihydropyrazine (CID 58852573) is 5,6-bis[4-(4-bromophenyl)phenyl]-2,3-dihydropyrazine.
What is the SMILES notation for 5,6-bis[4-(4-bromophenyl)phenyl]-2,3-dihydropyrazine?
The canonical SMILES for 5,6-bis[4-(4-bromophenyl)phenyl]-2,3-dihydropyrazine is Brc1ccc(-c2ccc(C3=NCCN=C3c3ccc(-c4ccc(Br)cc4)cc3)cc2)cc1.
What is the InChIKey of 5,6-bis[4-(4-bromophenyl)phenyl]-2,3-dihydropyrazine?
The InChIKey is GMKHPATWNUNUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Br2N2/c29-25-13-9-21(10-14-25)19-1-5-23(6-2-19)27-28(32-18-17-31-27)24-7-3-20(4-8-24)22-11-15-26(30)16-12-22/h1-16H,17-18H2.
What are the key properties of 5,6-bis[4-(4-bromophenyl)phenyl]-2,3-dihydropyrazine?
5,6-bis[4-(4-bromophenyl)phenyl]-2,3-dihydropyrazine has a molecular weight of 544.29 g/mol, XLogP of 7.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis[4-(4-bromophenyl)phenyl]-2,3-dihydropyrazine is sourced from PubChem (CID 58852573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).