3,6-dibenzyl-2,5-diphenyl-2,5-dihydropyrazine

C30H26N2 — CID 134870907

IUPAC3,6-dibenzyl-2,5-diphenyl-2,5-dihydropyrazine
SMILESc1ccc(CC2=NC(c3ccccc3)C(Cc3ccccc3)=NC2c2ccccc2)cc1
InChIInChI=1S/C30H26N2/c1-5-13-23(14-6-1)21-27-29(25-17-9-3-10-18-25)32-28(22-24-15-7-2-8-16-24)30(31-27)26-19-11-4-12-20-26/h1-20,29-30H,21-22H2
InChIKeyMFDGSDQQNPVYRD-UHFFFAOYSA-N
MW414.55 g/mol
LogP6.85
Rot. Bonds6

About 3,6-dibenzyl-2,5-diphenyl-2,5-dihydropyrazine

3,6-dibenzyl-2,5-diphenyl-2,5-dihydropyrazine (PubChem CID 134870907) has the molecular formula C30H26N2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 3,6-dibenzyl-2,5-diphenyl-2,5-dihydropyrazine.

Molecular Properties

Compound Name3,6-dibenzyl-2,5-diphenyl-2,5-dihydropyrazine
PubChem CID134870907
Molecular FormulaC30H26N2
Molecular Weight414.55 g/mol
Exact Mass414.21
IUPAC Name3,6-dibenzyl-2,5-diphenyl-2,5-dihydropyrazine
SMILESc1ccc(CC2=NC(c3ccccc3)C(Cc3ccccc3)=NC2c2ccccc2)cc1
InChIInChI=1S/C30H26N2/c1-5-13-23(14-6-1)21-27-29(25-17-9-3-10-18-25)32-28(22-24-15-7-2-8-16-24)30(31-27)26-19-11-4-12-20-26/h1-20,29-30H,21-22H2
InChIKeyMFDGSDQQNPVYRD-UHFFFAOYSA-N
XLogP6.85
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dibenzyl-2,5-diphenyl-2,5-dihydropyrazine?
The IUPAC name of 3,6-dibenzyl-2,5-diphenyl-2,5-dihydropyrazine (CID 134870907) is 3,6-dibenzyl-2,5-diphenyl-2,5-dihydropyrazine.
What is the SMILES notation for 3,6-dibenzyl-2,5-diphenyl-2,5-dihydropyrazine?
The canonical SMILES for 3,6-dibenzyl-2,5-diphenyl-2,5-dihydropyrazine is c1ccc(CC2=NC(c3ccccc3)C(Cc3ccccc3)=NC2c2ccccc2)cc1.
What is the InChIKey of 3,6-dibenzyl-2,5-diphenyl-2,5-dihydropyrazine?
The InChIKey is MFDGSDQQNPVYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2/c1-5-13-23(14-6-1)21-27-29(25-17-9-3-10-18-25)32-28(22-24-15-7-2-8-16-24)30(31-27)26-19-11-4-12-20-26/h1-20,29-30H,21-22H2.
What are the key properties of 3,6-dibenzyl-2,5-diphenyl-2,5-dihydropyrazine?
3,6-dibenzyl-2,5-diphenyl-2,5-dihydropyrazine has a molecular weight of 414.55 g/mol, XLogP of 6.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibenzyl-2,5-diphenyl-2,5-dihydropyrazine is sourced from PubChem (CID 134870907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).