2,8-bis(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine

C46H26N2O3 — CID 146600450

IUPAC2,8-bis(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine
SMILESc1ccc2c(c1)oc1c(-c3ccc(-c4ccc5oc6ncc(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)nc6c5c4)cc3)cccc12
InChIInChI=1S/C46H26N2O3/c1-3-13-40-34(7-1)36-11-5-9-32(44(36)49-40)28-17-15-27(16-18-28)31-23-24-42-38(25-31)43-46(51-42)47-26-39(48-43)30-21-19-29(20-22-30)33-10-6-12-37-35-8-2-4-14-41(35)50-45(33)37/h1-26H
InChIKeyHIHHPPUNGYFCEA-UHFFFAOYSA-N
MW654.73 g/mol
LogP12.84
Rot. Bonds4

About 2,8-bis(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine

2,8-bis(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine (PubChem CID 146600450) has the molecular formula C46H26N2O3 and a molecular weight of 654.73 g/mol. Its IUPAC name is 2,8-bis(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine.

Molecular Properties

Compound Name2,8-bis(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine
PubChem CID146600450
Molecular FormulaC46H26N2O3
Molecular Weight654.73 g/mol
Exact Mass654.19
IUPAC Name2,8-bis(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine
SMILESc1ccc2c(c1)oc1c(-c3ccc(-c4ccc5oc6ncc(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)nc6c5c4)cc3)cccc12
InChIInChI=1S/C46H26N2O3/c1-3-13-40-34(7-1)36-11-5-9-32(44(36)49-40)28-17-15-27(16-18-28)31-23-24-42-38(25-31)43-46(51-42)47-26-39(48-43)30-21-19-29(20-22-30)33-10-6-12-37-35-8-2-4-14-41(35)50-45(33)37/h1-26H
InChIKeyHIHHPPUNGYFCEA-UHFFFAOYSA-N
XLogP12.84
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.73
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063395
3-[3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063454
3-[3-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063457
3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 129063498
3-(3-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 58410421
3-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 158679722
3-[3-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-dinaphthalen-2-ylphenanthro[9,10-b]pyrazine
CID 129063494
3-[3-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063442
10-(3-dibenzofuran-4-ylphenyl)-2,3-dimethylphenanthro[9,10-b]pyrazine;7-(3-dibenzofuran-4-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine;10-(3-dibenzofuran-4-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine
CID 162190524
14-(3-dibenzofuran-4-ylphenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 137456832
2,8-bis[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[2,3-b]pyrazine
CID 146600430
2-(4-dibenzofuran-4-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline
CID 90049857

Frequently Asked Questions

What is the IUPAC name of 2,8-bis(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine?
The IUPAC name of 2,8-bis(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine (CID 146600450) is 2,8-bis(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine.
What is the SMILES notation for 2,8-bis(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine?
The canonical SMILES for 2,8-bis(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine is c1ccc2c(c1)oc1c(-c3ccc(-c4ccc5oc6ncc(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)nc6c5c4)cc3)cccc12.
What is the InChIKey of 2,8-bis(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine?
The InChIKey is HIHHPPUNGYFCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N2O3/c1-3-13-40-34(7-1)36-11-5-9-32(44(36)49-40)28-17-15-27(16-18-28)31-23-24-42-38(25-31)43-46(51-42)47-26-39(48-43)30-21-19-29(20-22-30)33-10-6-12-37-35-8-2-4-14-41(35)50-45(33)37/h1-26H.
What are the key properties of 2,8-bis(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine?
2,8-bis(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine has a molecular weight of 654.73 g/mol, XLogP of 12.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-bis(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine is sourced from PubChem (CID 146600450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).