2-(1-benzofuran-2-yl)-3,6-diphenyl-5-(4-pyridin-3-ylphenyl)pyrazine

C35H23N3O — CID 156509356

IUPAC2-(1-benzofuran-2-yl)-3,6-diphenyl-5-(4-pyridin-3-ylphenyl)pyrazine
SMILESc1ccc(-c2nc(-c3cc4ccccc4o3)c(-c3ccccc3)nc2-c2ccc(-c3cccnc3)cc2)cc1
InChIInChI=1S/C35H23N3O/c1-3-10-25(11-4-1)32-33(27-19-17-24(18-20-27)29-15-9-21-36-23-29)37-34(26-12-5-2-6-13-26)35(38-32)31-22-28-14-7-8-16-30(28)39-31/h1-23H
InChIKeyVBFQIDODQJIRHG-UHFFFAOYSA-N
MW501.59 g/mol
LogP8.95
Rot. Bonds5

About 2-(1-benzofuran-2-yl)-3,6-diphenyl-5-(4-pyridin-3-ylphenyl)pyrazine

2-(1-benzofuran-2-yl)-3,6-diphenyl-5-(4-pyridin-3-ylphenyl)pyrazine (PubChem CID 156509356) has the molecular formula C35H23N3O and a molecular weight of 501.59 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-3,6-diphenyl-5-(4-pyridin-3-ylphenyl)pyrazine.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-3,6-diphenyl-5-(4-pyridin-3-ylphenyl)pyrazine
PubChem CID156509356
Molecular FormulaC35H23N3O
Molecular Weight501.59 g/mol
Exact Mass501.18
IUPAC Name2-(1-benzofuran-2-yl)-3,6-diphenyl-5-(4-pyridin-3-ylphenyl)pyrazine
SMILESc1ccc(-c2nc(-c3cc4ccccc4o3)c(-c3ccccc3)nc2-c2ccc(-c3cccnc3)cc2)cc1
InChIInChI=1S/C35H23N3O/c1-3-10-25(11-4-1)32-33(27-19-17-24(18-20-27)29-15-9-21-36-23-29)37-34(26-12-5-2-6-13-26)35(38-32)31-22-28-14-7-8-16-30(28)39-31/h1-23H
InChIKeyVBFQIDODQJIRHG-UHFFFAOYSA-N
XLogP8.95
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-3,6-diphenyl-5-(4-pyridin-3-ylphenyl)pyrazine?
The IUPAC name of 2-(1-benzofuran-2-yl)-3,6-diphenyl-5-(4-pyridin-3-ylphenyl)pyrazine (CID 156509356) is 2-(1-benzofuran-2-yl)-3,6-diphenyl-5-(4-pyridin-3-ylphenyl)pyrazine.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-3,6-diphenyl-5-(4-pyridin-3-ylphenyl)pyrazine?
The canonical SMILES for 2-(1-benzofuran-2-yl)-3,6-diphenyl-5-(4-pyridin-3-ylphenyl)pyrazine is c1ccc(-c2nc(-c3cc4ccccc4o3)c(-c3ccccc3)nc2-c2ccc(-c3cccnc3)cc2)cc1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-3,6-diphenyl-5-(4-pyridin-3-ylphenyl)pyrazine?
The InChIKey is VBFQIDODQJIRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N3O/c1-3-10-25(11-4-1)32-33(27-19-17-24(18-20-27)29-15-9-21-36-23-29)37-34(26-12-5-2-6-13-26)35(38-32)31-22-28-14-7-8-16-30(28)39-31/h1-23H.
What are the key properties of 2-(1-benzofuran-2-yl)-3,6-diphenyl-5-(4-pyridin-3-ylphenyl)pyrazine?
2-(1-benzofuran-2-yl)-3,6-diphenyl-5-(4-pyridin-3-ylphenyl)pyrazine has a molecular weight of 501.59 g/mol, XLogP of 8.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-3,6-diphenyl-5-(4-pyridin-3-ylphenyl)pyrazine is sourced from PubChem (CID 156509356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).