2-[8-[8-(8-pyrazin-2-yldibenzofuran-2-yl)dibenzothiophen-2-yl]dibenzofuran-2-yl]pyrazine

C44H24N4O2S — CID 163662175

IUPAC2-[8-[8-(8-pyrazin-2-yldibenzofuran-2-yl)dibenzothiophen-2-yl]dibenzofuran-2-yl]pyrazine
SMILESc1cnc(-c2ccc3oc4ccc(-c5ccc6sc7ccc(-c8ccc9oc%10ccc(-c%11cnccn%11)cc%10c9c8)cc7c6c5)cc4c3c2)cn1
InChIInChI=1S/C44H24N4O2S/c1-7-39-31(33-21-29(3-9-41(33)49-39)37-23-45-13-15-47-37)17-25(1)27-5-11-43-35(19-27)36-20-28(6-12-44(36)51-43)26-2-8-40-32(18-26)34-22-30(4-10-42(34)50-40)38-24-46-14-16-48-38/h1-24H
InChIKeyIVIDEWIYFDZOKK-UHFFFAOYSA-N
MW672.77 g/mol
LogP12.10
Rot. Bonds4

About 2-[8-[8-(8-pyrazin-2-yldibenzofuran-2-yl)dibenzothiophen-2-yl]dibenzofuran-2-yl]pyrazine

2-[8-[8-(8-pyrazin-2-yldibenzofuran-2-yl)dibenzothiophen-2-yl]dibenzofuran-2-yl]pyrazine (PubChem CID 163662175) has the molecular formula C44H24N4O2S and a molecular weight of 672.77 g/mol. Its IUPAC name is 2-[8-[8-(8-pyrazin-2-yldibenzofuran-2-yl)dibenzothiophen-2-yl]dibenzofuran-2-yl]pyrazine.

Molecular Properties

Compound Name2-[8-[8-(8-pyrazin-2-yldibenzofuran-2-yl)dibenzothiophen-2-yl]dibenzofuran-2-yl]pyrazine
PubChem CID163662175
Molecular FormulaC44H24N4O2S
Molecular Weight672.77 g/mol
Exact Mass672.16
IUPAC Name2-[8-[8-(8-pyrazin-2-yldibenzofuran-2-yl)dibenzothiophen-2-yl]dibenzofuran-2-yl]pyrazine
SMILESc1cnc(-c2ccc3oc4ccc(-c5ccc6sc7ccc(-c8ccc9oc%10ccc(-c%11cnccn%11)cc%10c9c8)cc7c6c5)cc4c3c2)cn1
InChIInChI=1S/C44H24N4O2S/c1-7-39-31(33-21-29(3-9-41(33)49-39)37-23-45-13-15-47-37)17-25(1)27-5-11-43-35(19-27)36-20-28(6-12-44(36)51-43)26-2-8-40-32(18-26)34-22-30(4-10-42(34)50-40)38-24-46-14-16-48-38/h1-24H
InChIKeyIVIDEWIYFDZOKK-UHFFFAOYSA-N
XLogP12.10
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.77
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[8-[8-(8-pyrazin-2-yldibenzofuran-2-yl)dibenzothiophen-2-yl]dibenzofuran-2-yl]pyrazine?
The IUPAC name of 2-[8-[8-(8-pyrazin-2-yldibenzofuran-2-yl)dibenzothiophen-2-yl]dibenzofuran-2-yl]pyrazine (CID 163662175) is 2-[8-[8-(8-pyrazin-2-yldibenzofuran-2-yl)dibenzothiophen-2-yl]dibenzofuran-2-yl]pyrazine.
What is the SMILES notation for 2-[8-[8-(8-pyrazin-2-yldibenzofuran-2-yl)dibenzothiophen-2-yl]dibenzofuran-2-yl]pyrazine?
The canonical SMILES for 2-[8-[8-(8-pyrazin-2-yldibenzofuran-2-yl)dibenzothiophen-2-yl]dibenzofuran-2-yl]pyrazine is c1cnc(-c2ccc3oc4ccc(-c5ccc6sc7ccc(-c8ccc9oc%10ccc(-c%11cnccn%11)cc%10c9c8)cc7c6c5)cc4c3c2)cn1.
What is the InChIKey of 2-[8-[8-(8-pyrazin-2-yldibenzofuran-2-yl)dibenzothiophen-2-yl]dibenzofuran-2-yl]pyrazine?
The InChIKey is IVIDEWIYFDZOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N4O2S/c1-7-39-31(33-21-29(3-9-41(33)49-39)37-23-45-13-15-47-37)17-25(1)27-5-11-43-35(19-27)36-20-28(6-12-44(36)51-43)26-2-8-40-32(18-26)34-22-30(4-10-42(34)50-40)38-24-46-14-16-48-38/h1-24H.
What are the key properties of 2-[8-[8-(8-pyrazin-2-yldibenzofuran-2-yl)dibenzothiophen-2-yl]dibenzofuran-2-yl]pyrazine?
2-[8-[8-(8-pyrazin-2-yldibenzofuran-2-yl)dibenzothiophen-2-yl]dibenzofuran-2-yl]pyrazine has a molecular weight of 672.77 g/mol, XLogP of 12.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[8-(8-pyrazin-2-yldibenzofuran-2-yl)dibenzothiophen-2-yl]dibenzofuran-2-yl]pyrazine is sourced from PubChem (CID 163662175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).