2-[4-(4-ethenylphenyl)phenyl]-3,5,6-triphenylpyrazine

C36H26N2 — CID 58151656

IUPAC2-[4-(4-ethenylphenyl)phenyl]-3,5,6-triphenylpyrazine
SMILESC=Cc1ccc(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)nc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C36H26N2/c1-2-26-18-20-27(21-19-26)28-22-24-32(25-23-28)36-35(31-16-10-5-11-17-31)37-33(29-12-6-3-7-13-29)34(38-36)30-14-8-4-9-15-30/h2-25H,1H2
InChIKeyFYCFVEBLJRQNFB-UHFFFAOYSA-N
MW486.62 g/mol
LogP9.45
Rot. Bonds6

About 2-[4-(4-ethenylphenyl)phenyl]-3,5,6-triphenylpyrazine

2-[4-(4-ethenylphenyl)phenyl]-3,5,6-triphenylpyrazine (PubChem CID 58151656) has the molecular formula C36H26N2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 2-[4-(4-ethenylphenyl)phenyl]-3,5,6-triphenylpyrazine.

Molecular Properties

Compound Name2-[4-(4-ethenylphenyl)phenyl]-3,5,6-triphenylpyrazine
PubChem CID58151656
Molecular FormulaC36H26N2
Molecular Weight486.62 g/mol
Exact Mass486.21
IUPAC Name2-[4-(4-ethenylphenyl)phenyl]-3,5,6-triphenylpyrazine
SMILESC=Cc1ccc(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)nc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C36H26N2/c1-2-26-18-20-27(21-19-26)28-22-24-32(25-23-28)36-35(31-16-10-5-11-17-31)37-33(29-12-6-3-7-13-29)34(38-36)30-14-8-4-9-15-30/h2-25H,1H2
InChIKeyFYCFVEBLJRQNFB-UHFFFAOYSA-N
XLogP9.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethenylphenyl)phenyl]-3,5,6-triphenylpyrazine?
The IUPAC name of 2-[4-(4-ethenylphenyl)phenyl]-3,5,6-triphenylpyrazine (CID 58151656) is 2-[4-(4-ethenylphenyl)phenyl]-3,5,6-triphenylpyrazine.
What is the SMILES notation for 2-[4-(4-ethenylphenyl)phenyl]-3,5,6-triphenylpyrazine?
The canonical SMILES for 2-[4-(4-ethenylphenyl)phenyl]-3,5,6-triphenylpyrazine is C=Cc1ccc(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)nc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-[4-(4-ethenylphenyl)phenyl]-3,5,6-triphenylpyrazine?
The InChIKey is FYCFVEBLJRQNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2/c1-2-26-18-20-27(21-19-26)28-22-24-32(25-23-28)36-35(31-16-10-5-11-17-31)37-33(29-12-6-3-7-13-29)34(38-36)30-14-8-4-9-15-30/h2-25H,1H2.
What are the key properties of 2-[4-(4-ethenylphenyl)phenyl]-3,5,6-triphenylpyrazine?
2-[4-(4-ethenylphenyl)phenyl]-3,5,6-triphenylpyrazine has a molecular weight of 486.62 g/mol, XLogP of 9.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethenylphenyl)phenyl]-3,5,6-triphenylpyrazine is sourced from PubChem (CID 58151656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).