2-[1-(1-benzofuran-2-yl)-3-(2H-chromen-2-yl)-5-pyridin-2-yl-6-thiophen-2-yl-2-benzofuran-4-yl]pyrazine

C38H23N3O3S — CID 140983280

IUPAC2-[1-(1-benzofuran-2-yl)-3-(2H-chromen-2-yl)-5-pyridin-2-yl-6-thiophen-2-yl-2-benzofuran-4-yl]pyrazine
SMILESC1=CC(c2oc(-c3cc4ccccc4o3)c3cc(-c4cccs4)c(-c4ccccn4)c(-c4cnccn4)c23)Oc2ccccc21
InChIInChI=1S/C38H23N3O3S/c1-3-11-29-23(8-1)14-15-31(42-29)38-35-26(37(44-38)32-20-24-9-2-4-12-30(24)43-32)21-25(33-13-7-19-45-33)34(27-10-5-6-16-40-27)36(35)28-22-39-17-18-41-28/h1-22,31H
InChIKeyAVEXHRHOONJPOE-UHFFFAOYSA-N
MW601.69 g/mol
LogP10.24
Rot. Bonds5

About 2-[1-(1-benzofuran-2-yl)-3-(2H-chromen-2-yl)-5-pyridin-2-yl-6-thiophen-2-yl-2-benzofuran-4-yl]pyrazine

2-[1-(1-benzofuran-2-yl)-3-(2H-chromen-2-yl)-5-pyridin-2-yl-6-thiophen-2-yl-2-benzofuran-4-yl]pyrazine (PubChem CID 140983280) has the molecular formula C38H23N3O3S and a molecular weight of 601.69 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-2-yl)-3-(2H-chromen-2-yl)-5-pyridin-2-yl-6-thiophen-2-yl-2-benzofuran-4-yl]pyrazine.

Molecular Properties

Compound Name2-[1-(1-benzofuran-2-yl)-3-(2H-chromen-2-yl)-5-pyridin-2-yl-6-thiophen-2-yl-2-benzofuran-4-yl]pyrazine
PubChem CID140983280
Molecular FormulaC38H23N3O3S
Molecular Weight601.69 g/mol
Exact Mass601.15
IUPAC Name2-[1-(1-benzofuran-2-yl)-3-(2H-chromen-2-yl)-5-pyridin-2-yl-6-thiophen-2-yl-2-benzofuran-4-yl]pyrazine
SMILESC1=CC(c2oc(-c3cc4ccccc4o3)c3cc(-c4cccs4)c(-c4ccccn4)c(-c4cnccn4)c23)Oc2ccccc21
InChIInChI=1S/C38H23N3O3S/c1-3-11-29-23(8-1)14-15-31(42-29)38-35-26(37(44-38)32-20-24-9-2-4-12-30(24)43-32)21-25(33-13-7-19-45-33)34(27-10-5-6-16-40-27)36(35)28-22-39-17-18-41-28/h1-22,31H
InChIKeyAVEXHRHOONJPOE-UHFFFAOYSA-N
XLogP10.24
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.69
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzofuran-2-yl)-3-(2H-chromen-2-yl)-5-pyridin-2-yl-6-thiophen-2-yl-2-benzofuran-4-yl]pyrazine?
The IUPAC name of 2-[1-(1-benzofuran-2-yl)-3-(2H-chromen-2-yl)-5-pyridin-2-yl-6-thiophen-2-yl-2-benzofuran-4-yl]pyrazine (CID 140983280) is 2-[1-(1-benzofuran-2-yl)-3-(2H-chromen-2-yl)-5-pyridin-2-yl-6-thiophen-2-yl-2-benzofuran-4-yl]pyrazine.
What is the SMILES notation for 2-[1-(1-benzofuran-2-yl)-3-(2H-chromen-2-yl)-5-pyridin-2-yl-6-thiophen-2-yl-2-benzofuran-4-yl]pyrazine?
The canonical SMILES for 2-[1-(1-benzofuran-2-yl)-3-(2H-chromen-2-yl)-5-pyridin-2-yl-6-thiophen-2-yl-2-benzofuran-4-yl]pyrazine is C1=CC(c2oc(-c3cc4ccccc4o3)c3cc(-c4cccs4)c(-c4ccccn4)c(-c4cnccn4)c23)Oc2ccccc21.
What is the InChIKey of 2-[1-(1-benzofuran-2-yl)-3-(2H-chromen-2-yl)-5-pyridin-2-yl-6-thiophen-2-yl-2-benzofuran-4-yl]pyrazine?
The InChIKey is AVEXHRHOONJPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3O3S/c1-3-11-29-23(8-1)14-15-31(42-29)38-35-26(37(44-38)32-20-24-9-2-4-12-30(24)43-32)21-25(33-13-7-19-45-33)34(27-10-5-6-16-40-27)36(35)28-22-39-17-18-41-28/h1-22,31H.
What are the key properties of 2-[1-(1-benzofuran-2-yl)-3-(2H-chromen-2-yl)-5-pyridin-2-yl-6-thiophen-2-yl-2-benzofuran-4-yl]pyrazine?
2-[1-(1-benzofuran-2-yl)-3-(2H-chromen-2-yl)-5-pyridin-2-yl-6-thiophen-2-yl-2-benzofuran-4-yl]pyrazine has a molecular weight of 601.69 g/mol, XLogP of 10.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzofuran-2-yl)-3-(2H-chromen-2-yl)-5-pyridin-2-yl-6-thiophen-2-yl-2-benzofuran-4-yl]pyrazine is sourced from PubChem (CID 140983280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).