2,3,5,6-tetrakis[(E)-2-phenylethenyl]pyrazine

C36H28N2 — CID 22345819

IUPAC2,3,5,6-tetrakis[(E)-2-phenylethenyl]pyrazine
SMILESC(=C/c1nc(/C=C/c2ccccc2)c(/C=C/c2ccccc2)nc1/C=C/c1ccccc1)\c1ccccc1
InChIInChI=1S/C36H28N2/c1-5-13-29(14-6-1)21-25-33-34(26-22-30-15-7-2-8-16-30)38-36(28-24-32-19-11-4-12-20-32)35(37-33)27-23-31-17-9-3-10-18-31/h1-28H/b25-21+,26-22+,27-23+,28-24+
InChIKeyJYERHBZOSJCZPY-OBCUGYALSA-N
MW488.63 g/mol
LogP9.16
Rot. Bonds8

About 2,3,5,6-tetrakis[(E)-2-phenylethenyl]pyrazine

2,3,5,6-tetrakis[(E)-2-phenylethenyl]pyrazine (PubChem CID 22345819) has the molecular formula C36H28N2 and a molecular weight of 488.63 g/mol. Its IUPAC name is 2,3,5,6-tetrakis[(E)-2-phenylethenyl]pyrazine.

Molecular Properties

Compound Name2,3,5,6-tetrakis[(E)-2-phenylethenyl]pyrazine
PubChem CID22345819
Molecular FormulaC36H28N2
Molecular Weight488.63 g/mol
Exact Mass488.23
IUPAC Name2,3,5,6-tetrakis[(E)-2-phenylethenyl]pyrazine
SMILESC(=C/c1nc(/C=C/c2ccccc2)c(/C=C/c2ccccc2)nc1/C=C/c1ccccc1)\c1ccccc1
InChIInChI=1S/C36H28N2/c1-5-13-29(14-6-1)21-25-33-34(26-22-30-15-7-2-8-16-30)38-36(28-24-32-19-11-4-12-20-32)35(37-33)27-23-31-17-9-3-10-18-31/h1-28H/b25-21+,26-22+,27-23+,28-24+
InChIKeyJYERHBZOSJCZPY-OBCUGYALSA-N
XLogP9.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 59.16
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[(E)-2-phenylethenyl]pyrazine?
The IUPAC name of 2,3,5,6-tetrakis[(E)-2-phenylethenyl]pyrazine (CID 22345819) is 2,3,5,6-tetrakis[(E)-2-phenylethenyl]pyrazine.
What is the SMILES notation for 2,3,5,6-tetrakis[(E)-2-phenylethenyl]pyrazine?
The canonical SMILES for 2,3,5,6-tetrakis[(E)-2-phenylethenyl]pyrazine is C(=C/c1nc(/C=C/c2ccccc2)c(/C=C/c2ccccc2)nc1/C=C/c1ccccc1)\c1ccccc1.
What is the InChIKey of 2,3,5,6-tetrakis[(E)-2-phenylethenyl]pyrazine?
The InChIKey is JYERHBZOSJCZPY-OBCUGYALSA-N. The full InChI is InChI=1S/C36H28N2/c1-5-13-29(14-6-1)21-25-33-34(26-22-30-15-7-2-8-16-30)38-36(28-24-32-19-11-4-12-20-32)35(37-33)27-23-31-17-9-3-10-18-31/h1-28H/b25-21+,26-22+,27-23+,28-24+.
What are the key properties of 2,3,5,6-tetrakis[(E)-2-phenylethenyl]pyrazine?
2,3,5,6-tetrakis[(E)-2-phenylethenyl]pyrazine has a molecular weight of 488.63 g/mol, XLogP of 9.16, 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-tetrakis[(E)-2-phenylethenyl]pyrazine is sourced from PubChem (CID 22345819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).