2,3,5,6-tetrakis[2-(2-ethylphenyl)ethenyl]pyrazine

C44H44N2 — CID 54435957

IUPAC2,3,5,6-tetrakis[2-(2-ethylphenyl)ethenyl]pyrazine
SMILESCCc1ccccc1C=Cc1nc(C=Cc2ccccc2CC)c(C=Cc2ccccc2CC)nc1C=Cc1ccccc1CC
InChIInChI=1S/C44H44N2/c1-5-33-17-9-13-21-37(33)25-29-41-42(30-26-38-22-14-10-18-34(38)6-2)46-44(32-28-40-24-16-12-20-36(40)8-4)43(45-41)31-27-39-23-15-11-19-35(39)7-3/h9-32H,5-8H2,1-4H3
InChIKeyWKSSVUGLFHMDSD-UHFFFAOYSA-N
MW600.85 g/mol
LogP11.41
Rot. Bonds12

About 2,3,5,6-tetrakis[2-(2-ethylphenyl)ethenyl]pyrazine

2,3,5,6-tetrakis[2-(2-ethylphenyl)ethenyl]pyrazine (PubChem CID 54435957) has the molecular formula C44H44N2 and a molecular weight of 600.85 g/mol. Its IUPAC name is 2,3,5,6-tetrakis[2-(2-ethylphenyl)ethenyl]pyrazine.

Molecular Properties

Compound Name2,3,5,6-tetrakis[2-(2-ethylphenyl)ethenyl]pyrazine
PubChem CID54435957
Molecular FormulaC44H44N2
Molecular Weight600.85 g/mol
Exact Mass600.35
IUPAC Name2,3,5,6-tetrakis[2-(2-ethylphenyl)ethenyl]pyrazine
SMILESCCc1ccccc1C=Cc1nc(C=Cc2ccccc2CC)c(C=Cc2ccccc2CC)nc1C=Cc1ccccc1CC
InChIInChI=1S/C44H44N2/c1-5-33-17-9-13-21-37(33)25-29-41-42(30-26-38-22-14-10-18-34(38)6-2)46-44(32-28-40-24-16-12-20-36(40)8-4)43(45-41)31-27-39-23-15-11-19-35(39)7-3/h9-32H,5-8H2,1-4H3
InChIKeyWKSSVUGLFHMDSD-UHFFFAOYSA-N
XLogP11.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.85
LogP ≤ 511.41
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-tetrakis[2-(2-ethylphenyl)ethenyl]pyrazine?
The IUPAC name of 2,3,5,6-tetrakis[2-(2-ethylphenyl)ethenyl]pyrazine (CID 54435957) is 2,3,5,6-tetrakis[2-(2-ethylphenyl)ethenyl]pyrazine.
What is the SMILES notation for 2,3,5,6-tetrakis[2-(2-ethylphenyl)ethenyl]pyrazine?
The canonical SMILES for 2,3,5,6-tetrakis[2-(2-ethylphenyl)ethenyl]pyrazine is CCc1ccccc1C=Cc1nc(C=Cc2ccccc2CC)c(C=Cc2ccccc2CC)nc1C=Cc1ccccc1CC.
What is the InChIKey of 2,3,5,6-tetrakis[2-(2-ethylphenyl)ethenyl]pyrazine?
The InChIKey is WKSSVUGLFHMDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44N2/c1-5-33-17-9-13-21-37(33)25-29-41-42(30-26-38-22-14-10-18-34(38)6-2)46-44(32-28-40-24-16-12-20-36(40)8-4)43(45-41)31-27-39-23-15-11-19-35(39)7-3/h9-32H,5-8H2,1-4H3.
What are the key properties of 2,3,5,6-tetrakis[2-(2-ethylphenyl)ethenyl]pyrazine?
2,3,5,6-tetrakis[2-(2-ethylphenyl)ethenyl]pyrazine has a molecular weight of 600.85 g/mol, XLogP of 11.41, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrakis[2-(2-ethylphenyl)ethenyl]pyrazine is sourced from PubChem (CID 54435957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).