2,3,5,6-tetrakis[(E)-2-(4-methylphenyl)ethenyl]pyrazine

C40H36N2 — CID 19937816

IUPAC2,3,5,6-tetrakis[(E)-2-(4-methylphenyl)ethenyl]pyrazine
SMILESCc1ccc(/C=C/c2nc(/C=C/c3ccc(C)cc3)c(/C=C/c3ccc(C)cc3)nc2/C=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C40H36N2/c1-29-5-13-33(14-6-29)21-25-37-38(26-22-34-15-7-30(2)8-16-34)42-40(28-24-36-19-11-32(4)12-20-36)39(41-37)27-23-35-17-9-31(3)10-18-35/h5-28H,1-4H3/b25-21+,26-22+,27-23+,28-24+
InChIKeyINVNOWSCBIQASZ-OBCUGYALSA-N
MW544.74 g/mol
LogP10.39
Rot. Bonds8

About 2,3,5,6-tetrakis[(E)-2-(4-methylphenyl)ethenyl]pyrazine

2,3,5,6-tetrakis[(E)-2-(4-methylphenyl)ethenyl]pyrazine (PubChem CID 19937816) has the molecular formula C40H36N2 and a molecular weight of 544.74 g/mol. Its IUPAC name is 2,3,5,6-tetrakis[(E)-2-(4-methylphenyl)ethenyl]pyrazine.

Molecular Properties

Compound Name2,3,5,6-tetrakis[(E)-2-(4-methylphenyl)ethenyl]pyrazine
PubChem CID19937816
Molecular FormulaC40H36N2
Molecular Weight544.74 g/mol
Exact Mass544.29
IUPAC Name2,3,5,6-tetrakis[(E)-2-(4-methylphenyl)ethenyl]pyrazine
SMILESCc1ccc(/C=C/c2nc(/C=C/c3ccc(C)cc3)c(/C=C/c3ccc(C)cc3)nc2/C=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C40H36N2/c1-29-5-13-33(14-6-29)21-25-37-38(26-22-34-15-7-30(2)8-16-34)42-40(28-24-36-19-11-32(4)12-20-36)39(41-37)27-23-35-17-9-31(3)10-18-35/h5-28H,1-4H3/b25-21+,26-22+,27-23+,28-24+
InChIKeyINVNOWSCBIQASZ-OBCUGYALSA-N
XLogP10.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.74
LogP ≤ 510.39
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-(4-methylphenyl)ethenyl]pyrazine?
The IUPAC name of 2,3,5,6-tetrakis[(E)-2-(4-methylphenyl)ethenyl]pyrazine (CID 19937816) is 2,3,5,6-tetrakis[(E)-2-(4-methylphenyl)ethenyl]pyrazine.
What is the SMILES notation for 2,3,5,6-tetrakis[(E)-2-(4-methylphenyl)ethenyl]pyrazine?
The canonical SMILES for 2,3,5,6-tetrakis[(E)-2-(4-methylphenyl)ethenyl]pyrazine is Cc1ccc(/C=C/c2nc(/C=C/c3ccc(C)cc3)c(/C=C/c3ccc(C)cc3)nc2/C=C/c2ccc(C)cc2)cc1.
What is the InChIKey of 2,3,5,6-tetrakis[(E)-2-(4-methylphenyl)ethenyl]pyrazine?
The InChIKey is INVNOWSCBIQASZ-OBCUGYALSA-N. The full InChI is InChI=1S/C40H36N2/c1-29-5-13-33(14-6-29)21-25-37-38(26-22-34-15-7-30(2)8-16-34)42-40(28-24-36-19-11-32(4)12-20-36)39(41-37)27-23-35-17-9-31(3)10-18-35/h5-28H,1-4H3/b25-21+,26-22+,27-23+,28-24+.
What are the key properties of 2,3,5,6-tetrakis[(E)-2-(4-methylphenyl)ethenyl]pyrazine?
2,3,5,6-tetrakis[(E)-2-(4-methylphenyl)ethenyl]pyrazine has a molecular weight of 544.74 g/mol, XLogP of 10.39, 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-(4-methylphenyl)ethenyl]pyrazine is sourced from PubChem (CID 19937816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).