2-[2,4,6,7,8-penta(pyrimidin-2-yl)dibenzofuran-3-yl]pyrazine

C36H20N12O — CID 67965680

IUPAC2-[2,4,6,7,8-penta(pyrimidin-2-yl)dibenzofuran-3-yl]pyrazine
SMILESc1cnc(-c2cc3c(oc4c(-c5ncccn5)c(-c5ncccn5)c(-c5ncccn5)cc43)c(-c3ncccn3)c2-c2cnccn2)nc1
InChIInChI=1S/C36H20N12O/c1-6-39-32(40-7-1)23-18-21-22-19-24(33-41-8-2-9-42-33)27(34-43-10-3-11-44-34)29(36-47-14-5-15-48-36)31(22)49-30(21)28(35-45-12-4-13-46-35)26(23)25-20-37-16-17-38-25/h1-20H
InChIKeyXBVIQRPPXHRJSM-UHFFFAOYSA-N
MW636.64 g/mol
LogP6.33
Rot. Bonds6

About 2-[2,4,6,7,8-penta(pyrimidin-2-yl)dibenzofuran-3-yl]pyrazine

2-[2,4,6,7,8-penta(pyrimidin-2-yl)dibenzofuran-3-yl]pyrazine (PubChem CID 67965680) has the molecular formula C36H20N12O and a molecular weight of 636.64 g/mol. Its IUPAC name is 2-[2,4,6,7,8-penta(pyrimidin-2-yl)dibenzofuran-3-yl]pyrazine.

Molecular Properties

Compound Name2-[2,4,6,7,8-penta(pyrimidin-2-yl)dibenzofuran-3-yl]pyrazine
PubChem CID67965680
Molecular FormulaC36H20N12O
Molecular Weight636.64 g/mol
Exact Mass636.19
IUPAC Name2-[2,4,6,7,8-penta(pyrimidin-2-yl)dibenzofuran-3-yl]pyrazine
SMILESc1cnc(-c2cc3c(oc4c(-c5ncccn5)c(-c5ncccn5)c(-c5ncccn5)cc43)c(-c3ncccn3)c2-c2cnccn2)nc1
InChIInChI=1S/C36H20N12O/c1-6-39-32(40-7-1)23-18-21-22-19-24(33-41-8-2-9-42-33)27(34-43-10-3-11-44-34)29(36-47-14-5-15-48-36)31(22)49-30(21)28(35-45-12-4-13-46-35)26(23)25-20-37-16-17-38-25/h1-20H
InChIKeyXBVIQRPPXHRJSM-UHFFFAOYSA-N
XLogP6.33
TPSA167.82 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500636.64
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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Frequently Asked Questions

What is the IUPAC name of 2-[2,4,6,7,8-penta(pyrimidin-2-yl)dibenzofuran-3-yl]pyrazine?
The IUPAC name of 2-[2,4,6,7,8-penta(pyrimidin-2-yl)dibenzofuran-3-yl]pyrazine (CID 67965680) is 2-[2,4,6,7,8-penta(pyrimidin-2-yl)dibenzofuran-3-yl]pyrazine.
What is the SMILES notation for 2-[2,4,6,7,8-penta(pyrimidin-2-yl)dibenzofuran-3-yl]pyrazine?
The canonical SMILES for 2-[2,4,6,7,8-penta(pyrimidin-2-yl)dibenzofuran-3-yl]pyrazine is c1cnc(-c2cc3c(oc4c(-c5ncccn5)c(-c5ncccn5)c(-c5ncccn5)cc43)c(-c3ncccn3)c2-c2cnccn2)nc1.
What is the InChIKey of 2-[2,4,6,7,8-penta(pyrimidin-2-yl)dibenzofuran-3-yl]pyrazine?
The InChIKey is XBVIQRPPXHRJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20N12O/c1-6-39-32(40-7-1)23-18-21-22-19-24(33-41-8-2-9-42-33)27(34-43-10-3-11-44-34)29(36-47-14-5-15-48-36)31(22)49-30(21)28(35-45-12-4-13-46-35)26(23)25-20-37-16-17-38-25/h1-20H.
What are the key properties of 2-[2,4,6,7,8-penta(pyrimidin-2-yl)dibenzofuran-3-yl]pyrazine?
2-[2,4,6,7,8-penta(pyrimidin-2-yl)dibenzofuran-3-yl]pyrazine has a molecular weight of 636.64 g/mol, XLogP of 6.33, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4,6,7,8-penta(pyrimidin-2-yl)dibenzofuran-3-yl]pyrazine is sourced from PubChem (CID 67965680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).