2,3,5,6-tetrabenzylpyrazine

C32H28N2 — CID 14712404

IUPAC2,3,5,6-tetrabenzylpyrazine
SMILESc1ccc(Cc2nc(Cc3ccccc3)c(Cc3ccccc3)nc2Cc2ccccc2)cc1
InChIInChI=1S/C32H28N2/c1-5-13-25(14-6-1)21-29-30(22-26-15-7-2-8-16-26)34-32(24-28-19-11-4-12-20-28)31(33-29)23-27-17-9-3-10-18-27/h1-20H,21-24H2
InChIKeyXEJYERPWZNTALA-UHFFFAOYSA-N
MW440.59 g/mol
LogP6.84
Rot. Bonds8

About 2,3,5,6-tetrabenzylpyrazine

2,3,5,6-tetrabenzylpyrazine (PubChem CID 14712404) has the molecular formula C32H28N2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 2,3,5,6-tetrabenzylpyrazine.

Molecular Properties

Compound Name2,3,5,6-tetrabenzylpyrazine
PubChem CID14712404
Molecular FormulaC32H28N2
Molecular Weight440.59 g/mol
Exact Mass440.23
IUPAC Name2,3,5,6-tetrabenzylpyrazine
SMILESc1ccc(Cc2nc(Cc3ccccc3)c(Cc3ccccc3)nc2Cc2ccccc2)cc1
InChIInChI=1S/C32H28N2/c1-5-13-25(14-6-1)21-29-30(22-26-15-7-2-8-16-26)34-32(24-28-19-11-4-12-20-28)31(33-29)23-27-17-9-3-10-18-27/h1-20H,21-24H2
InChIKeyXEJYERPWZNTALA-UHFFFAOYSA-N
XLogP6.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrabenzylpyrazine?
The IUPAC name of 2,3,5,6-tetrabenzylpyrazine (CID 14712404) is 2,3,5,6-tetrabenzylpyrazine.
What is the SMILES notation for 2,3,5,6-tetrabenzylpyrazine?
The canonical SMILES for 2,3,5,6-tetrabenzylpyrazine is c1ccc(Cc2nc(Cc3ccccc3)c(Cc3ccccc3)nc2Cc2ccccc2)cc1.
What is the InChIKey of 2,3,5,6-tetrabenzylpyrazine?
The InChIKey is XEJYERPWZNTALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2/c1-5-13-25(14-6-1)21-29-30(22-26-15-7-2-8-16-26)34-32(24-28-19-11-4-12-20-28)31(33-29)23-27-17-9-3-10-18-27/h1-20H,21-24H2.
What are the key properties of 2,3,5,6-tetrabenzylpyrazine?
2,3,5,6-tetrabenzylpyrazine has a molecular weight of 440.59 g/mol, XLogP of 6.84, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrabenzylpyrazine is sourced from PubChem (CID 14712404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).