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

C92H52N4O4S2 — CID 157089886

IUPAC8-(3-dibenzofuran-4-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine;8-(4-dibenzofuran-4-ylphenyl)-2-(4-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine
SMILESc1cc(-c2ccc3oc4ncc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)nc4c3c2)cc(-c2cccc3c2oc2ccccc23)c1.c1ccc2c(c1)oc1c(-c3ccc(-c4ccc5oc6ncc(-c7ccc(-c8cccc9c8sc8ccccc89)cc7)nc6c5c4)cc3)cccc12
InChIInChI=1S/2C46H26N2O2S/c1-3-19-40-34(13-1)36-17-7-15-32(44(36)49-40)29-10-5-9-27(23-29)28-21-22-41-38(25-28)43-46(50-41)47-26-39(48-43)31-12-6-11-30(24-31)33-16-8-18-37-35-14-2-4-20-42(35)51-45(33)37;1-3-13-40-34(7-1)36-11-5-9-32(44(36)49-40)28-17-15-27(16-18-28)31-23-24-41-38(25-31)43-46(50-41)47-26-39(48-43)30-21-19-29(20-22-30)33-10-6-12-37-35-8-2-4-14-42(35)51-45(33)37/h2*1-26H
InChIKeyAENSAVGDFCQDLX-UHFFFAOYSA-N
MW1341.59 g/mol
LogP26.62
Rot. Bonds8

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

8-(3-dibenzofuran-4-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine;8-(4-dibenzofuran-4-ylphenyl)-2-(4-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine (PubChem CID 157089886) has the molecular formula C92H52N4O4S2 and a molecular weight of 1341.59 g/mol. Its IUPAC name is 8-(3-dibenzofuran-4-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine;8-(4-dibenzofuran-4-ylphenyl)-2-(4-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine.

Molecular Properties

Compound Name8-(3-dibenzofuran-4-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine;8-(4-dibenzofuran-4-ylphenyl)-2-(4-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine
PubChem CID157089886
Molecular FormulaC92H52N4O4S2
Molecular Weight1341.59 g/mol
Exact Mass1340.34
IUPAC Name8-(3-dibenzofuran-4-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine;8-(4-dibenzofuran-4-ylphenyl)-2-(4-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine
SMILESc1cc(-c2ccc3oc4ncc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)nc4c3c2)cc(-c2cccc3c2oc2ccccc23)c1.c1ccc2c(c1)oc1c(-c3ccc(-c4ccc5oc6ncc(-c7ccc(-c8cccc9c8sc8ccccc89)cc7)nc6c5c4)cc3)cccc12
InChIInChI=1S/2C46H26N2O2S/c1-3-19-40-34(13-1)36-17-7-15-32(44(36)49-40)29-10-5-9-27(23-29)28-21-22-41-38(25-28)43-46(50-41)47-26-39(48-43)31-12-6-11-30(24-31)33-16-8-18-37-35-14-2-4-20-42(35)51-45(33)37;1-3-13-40-34(7-1)36-11-5-9-32(44(36)49-40)28-17-15-27(16-18-28)31-23-24-41-38(25-31)43-46(50-41)47-26-39(48-43)30-21-19-29(20-22-30)33-10-6-12-37-35-8-2-4-14-42(35)51-45(33)37/h2*1-26H
InChIKeyAENSAVGDFCQDLX-UHFFFAOYSA-N
XLogP26.62
TPSA104.12 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001341.59
LogP ≤ 526.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 8-(3-dibenzofuran-4-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine;8-(4-dibenzofuran-4-ylphenyl)-2-(4-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[5-[6-(1,3-Benzoxazol-2-yl)-2-pyridinyl]-3,4-diphenylthiophen-2-yl]-2-pyridinyl]-1,3-benzoxazole
CID 23432459
2-[5-[5-[6-(1,3-Benzoxazol-2-yl)-3-pyridinyl]-3,4-diphenylthiophen-2-yl]-2-pyridinyl]-1,3-benzoxazole
CID 23432476
2-[8-[8-(8-Pyrazin-2-yldibenzothiophen-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]pyrazine
CID 58501540
4-(5-Methyl-4-octylthiophen-2-yl)-8-[5-(11-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)-4-octylthiophen-2-yl]-2,6-dioctylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 88853525
8-[3-(3-Dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 89850008
8-[3-[3-(3-Dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 89850021
8-[3-(8-Dibenzothiophen-2-yldibenzofuran-2-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 89850025
8-[9-([1]Benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]-[1]benzofuro[3,2-b]pyridine
CID 89850168
8-[3-[3-[9-[3-([1]Benzothiolo[3,2-b]pyridin-8-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 89850228
8-[3-[3-[8-[9-[3-([1]Benzothiolo[3,2-b]pyridin-8-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 89850231
8-[3-[3-[8-[3-[3-([1]Benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90084677
8-[3-[3-[3-[3-[8-([1]Benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90250397

Frequently Asked Questions

What is the IUPAC name of 8-(3-dibenzofuran-4-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine;8-(4-dibenzofuran-4-ylphenyl)-2-(4-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine?
The IUPAC name of 8-(3-dibenzofuran-4-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine;8-(4-dibenzofuran-4-ylphenyl)-2-(4-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine (CID 157089886) is 8-(3-dibenzofuran-4-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine;8-(4-dibenzofuran-4-ylphenyl)-2-(4-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine.
What is the SMILES notation for 8-(3-dibenzofuran-4-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine;8-(4-dibenzofuran-4-ylphenyl)-2-(4-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine?
The canonical SMILES for 8-(3-dibenzofuran-4-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine;8-(4-dibenzofuran-4-ylphenyl)-2-(4-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine is c1cc(-c2ccc3oc4ncc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)nc4c3c2)cc(-c2cccc3c2oc2ccccc23)c1.c1ccc2c(c1)oc1c(-c3ccc(-c4ccc5oc6ncc(-c7ccc(-c8cccc9c8sc8ccccc89)cc7)nc6c5c4)cc3)cccc12.
What is the InChIKey of 8-(3-dibenzofuran-4-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine;8-(4-dibenzofuran-4-ylphenyl)-2-(4-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine?
The InChIKey is AENSAVGDFCQDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H26N2O2S/c1-3-19-40-34(13-1)36-17-7-15-32(44(36)49-40)29-10-5-9-27(23-29)28-21-22-41-38(25-28)43-46(50-41)47-26-39(48-43)31-12-6-11-30(24-31)33-16-8-18-37-35-14-2-4-20-42(35)51-45(33)37;1-3-13-40-34(7-1)36-11-5-9-32(44(36)49-40)28-17-15-27(16-18-28)31-23-24-41-38(25-31)43-46(50-41)47-26-39(48-43)30-21-19-29(20-22-30)33-10-6-12-37-35-8-2-4-14-42(35)51-45(33)37/h2*1-26H.
What are the key properties of 8-(3-dibenzofuran-4-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine;8-(4-dibenzofuran-4-ylphenyl)-2-(4-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine?
8-(3-dibenzofuran-4-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine;8-(4-dibenzofuran-4-ylphenyl)-2-(4-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine has a molecular weight of 1341.59 g/mol, XLogP of 26.62, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-dibenzofuran-4-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine;8-(4-dibenzofuran-4-ylphenyl)-2-(4-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine is sourced from PubChem (CID 157089886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).