2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-6-methyl-5-(4-phenylphenyl)pyrazine

C30H22F2N2 — CID 71137075

IUPAC2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-6-methyl-5-(4-phenylphenyl)pyrazine
SMILESCc1cc(F)ccc1-c1nc(C)c(-c2ccc(-c3ccccc3)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C30H22F2N2/c1-19-18-26(32)16-17-27(19)30-29(24-12-14-25(31)15-13-24)34-28(20(2)33-30)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-18H,1-2H3
InChIKeyVKDOVAJBNHUUFP-UHFFFAOYSA-N
MW448.52 g/mol
LogP8.04
Rot. Bonds4

About 2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-6-methyl-5-(4-phenylphenyl)pyrazine

2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-6-methyl-5-(4-phenylphenyl)pyrazine (PubChem CID 71137075) has the molecular formula C30H22F2N2 and a molecular weight of 448.52 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-6-methyl-5-(4-phenylphenyl)pyrazine.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-6-methyl-5-(4-phenylphenyl)pyrazine
PubChem CID71137075
Molecular FormulaC30H22F2N2
Molecular Weight448.52 g/mol
Exact Mass448.18
IUPAC Name2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-6-methyl-5-(4-phenylphenyl)pyrazine
SMILESCc1cc(F)ccc1-c1nc(C)c(-c2ccc(-c3ccccc3)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C30H22F2N2/c1-19-18-26(32)16-17-27(19)30-29(24-12-14-25(31)15-13-24)34-28(20(2)33-30)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-18H,1-2H3
InChIKeyVKDOVAJBNHUUFP-UHFFFAOYSA-N
XLogP8.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-6-methyl-5-(4-phenylphenyl)pyrazine?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-6-methyl-5-(4-phenylphenyl)pyrazine (CID 71137075) is 2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-6-methyl-5-(4-phenylphenyl)pyrazine.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-6-methyl-5-(4-phenylphenyl)pyrazine?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-6-methyl-5-(4-phenylphenyl)pyrazine is Cc1cc(F)ccc1-c1nc(C)c(-c2ccc(-c3ccccc3)cc2)nc1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-6-methyl-5-(4-phenylphenyl)pyrazine?
The InChIKey is VKDOVAJBNHUUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22F2N2/c1-19-18-26(32)16-17-27(19)30-29(24-12-14-25(31)15-13-24)34-28(20(2)33-30)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-18H,1-2H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-6-methyl-5-(4-phenylphenyl)pyrazine?
2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-6-methyl-5-(4-phenylphenyl)pyrazine has a molecular weight of 448.52 g/mol, XLogP of 8.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)-6-methyl-5-(4-phenylphenyl)pyrazine is sourced from PubChem (CID 71137075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).