2-chloro-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine

C22H11ClN2O2 — CID 137433440

IUPAC2-chloro-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine
SMILESClc1nc2c(nc1-c1ccc3oc4ccccc4c3c1)oc1ccccc12
InChIInChI=1S/C22H11ClN2O2/c23-21-19(25-22-20(24-21)14-6-2-4-8-17(14)27-22)12-9-10-18-15(11-12)13-5-1-3-7-16(13)26-18/h1-11H
InChIKeyUKLPCMFLAHUKHR-UHFFFAOYSA-N
MW370.80 g/mol
LogP6.60
Rot. Bonds1

About 2-chloro-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine

2-chloro-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine (PubChem CID 137433440) has the molecular formula C22H11ClN2O2 and a molecular weight of 370.80 g/mol. Its IUPAC name is 2-chloro-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine.

Molecular Properties

Compound Name2-chloro-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine
PubChem CID137433440
Molecular FormulaC22H11ClN2O2
Molecular Weight370.80 g/mol
Exact Mass370.05
IUPAC Name2-chloro-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine
SMILESClc1nc2c(nc1-c1ccc3oc4ccccc4c3c1)oc1ccccc12
InChIInChI=1S/C22H11ClN2O2/c23-21-19(25-22-20(24-21)14-6-2-4-8-17(14)27-22)12-9-10-18-15(11-12)13-5-1-3-7-16(13)26-18/h1-11H
InChIKeyUKLPCMFLAHUKHR-UHFFFAOYSA-N
XLogP6.60
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.80
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-3-(4-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyrazine
CID 137424596
19-(4-chlorophenyl)-23-oxa-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17(22),18,20,24-dodecaene
CID 139337303
3-chloro-1-dibenzofuran-2-ylbenzo[f]quinazoline
CID 126738166
2-(5-dibenzofuran-2-ylbenzo[c]phenanthren-8-yl)dibenzofuran
CID 59282074
2,4-di(dibenzofuran-2-yl)pyrimidine
CID 121340967
2-chloro-4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 153288146
2,9-bis(4-dibenzofuran-2-ylphenyl)-1,10-phenanthroline
CID 90050213
2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine
CID 153316090
2,4-dichloro-6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 168908527
2-dibenzofuran-2-yl-3,5-dimethylpyrazine
CID 67501726
2,4-di(dibenzofuran-2-yl)-6-dibenzofuran-3-ylpyrimidine
CID 138736794
2-[4-[8-(2-dibenzofuran-3-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170193050

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine?
The IUPAC name of 2-chloro-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine (CID 137433440) is 2-chloro-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine.
What is the SMILES notation for 2-chloro-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine?
The canonical SMILES for 2-chloro-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine is Clc1nc2c(nc1-c1ccc3oc4ccccc4c3c1)oc1ccccc12.
What is the InChIKey of 2-chloro-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine?
The InChIKey is UKLPCMFLAHUKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H11ClN2O2/c23-21-19(25-22-20(24-21)14-6-2-4-8-17(14)27-22)12-9-10-18-15(11-12)13-5-1-3-7-16(13)26-18/h1-11H.
What are the key properties of 2-chloro-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine?
2-chloro-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine has a molecular weight of 370.80 g/mol, XLogP of 6.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine is sourced from PubChem (CID 137433440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).