7-(3-carbazol-9-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine;6-(3-dibenzofuran-4-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine

C92H53N5O3S2 — CID 158513706

IUPAC7-(3-carbazol-9-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine;6-(3-dibenzofuran-4-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine
SMILESc1cc(-c2cccc3c2oc2ccccc23)cc(-c2cccc3c2oc2ncc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)nc23)c1.c1cc(-c2cnc3oc4cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc4c3n2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C46H27N3OS.C46H26N2O2S/c1-4-19-40-34(14-1)35-15-2-5-20-41(35)49(40)32-13-8-10-28(25-32)29-22-23-38-42(26-29)50-46-44(38)48-39(27-47-46)31-12-7-11-30(24-31)33-17-9-18-37-36-16-3-6-21-43(36)51-45(33)37;1-3-22-40-34(14-1)36-19-7-16-31(43(36)49-40)27-10-5-11-28(24-27)32-17-8-21-38-42-46(50-44(32)38)47-26-39(48-42)30-13-6-12-29(25-30)33-18-9-20-37-35-15-2-4-23-41(35)51-45(33)37/h1-27H;1-26H
InChIKeyHLJGFELQMZBYHS-UHFFFAOYSA-N
MW1340.60 g/mol
LogP26.15
Rot. Bonds8

About 7-(3-carbazol-9-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine;6-(3-dibenzofuran-4-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine

7-(3-carbazol-9-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine;6-(3-dibenzofuran-4-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine (PubChem CID 158513706) has the molecular formula C92H53N5O3S2 and a molecular weight of 1340.60 g/mol. Its IUPAC name is 7-(3-carbazol-9-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine;6-(3-dibenzofuran-4-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine.

Molecular Properties

Compound Name7-(3-carbazol-9-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine;6-(3-dibenzofuran-4-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine
PubChem CID158513706
Molecular FormulaC92H53N5O3S2
Molecular Weight1340.60 g/mol
Exact Mass1339.36
IUPAC Name7-(3-carbazol-9-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine;6-(3-dibenzofuran-4-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine
SMILESc1cc(-c2cccc3c2oc2ccccc23)cc(-c2cccc3c2oc2ncc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)nc23)c1.c1cc(-c2cnc3oc4cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc4c3n2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C46H27N3OS.C46H26N2O2S/c1-4-19-40-34(14-1)35-15-2-5-20-41(35)49(40)32-13-8-10-28(25-32)29-22-23-38-42(26-29)50-46-44(38)48-39(27-47-46)31-12-7-11-30(24-31)33-17-9-18-37-36-16-3-6-21-43(36)51-45(33)37;1-3-22-40-34(14-1)36-19-7-16-31(43(36)49-40)27-10-5-11-28(24-27)32-17-8-21-38-42-46(50-44(32)38)47-26-39(48-42)30-13-6-12-29(25-30)33-18-9-20-37-35-15-2-4-23-41(35)51-45(33)37/h1-27H;1-26H
InChIKeyHLJGFELQMZBYHS-UHFFFAOYSA-N
XLogP26.15
TPSA95.91 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001340.60
LogP ≤ 526.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 7-(3-carbazol-9-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine;6-(3-dibenzofuran-4-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine with MolForge

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Related Compounds

2-[3-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-7-(1H-inden-1-yl)-4-(1H-indol-2-yl)quinolin-6-yl]-1,3-oxazole
CID 53651180
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
7-Methyl-3-[5-[9-(5-methyl-4-octylthiophen-2-yl)-6,7-dioctyl-[1,2,5]thiadiazolo[3,4-g]quinoxalin-4-yl]-3-octylthiophen-2-yl]-[1]benzofuro[3,2-b]pyridine
CID 88853526
8-[3-([1]Benzothiolo[3,2-b]pyridin-8-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 89849992
8-(8-Dibenzothiophen-2-ylpyrido[3,2-b]indol-5-yl)-[1]benzofuro[3,2-b]pyridine
CID 89850005
8-[3-(3-Dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 89850008
8-[3-(6-Dibenzothiophen-4-yl-2-pyridinyl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 89850020
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-[3-(1-Dibenzothiophen-2-ylcyclohexyl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 89850031
8-(4-Dibenzothiophen-1-yloxycarbazol-9-yl)-[1]benzofuro[3,2-b]pyridine
CID 89850049
8-[3-[3-[8-[9-[3-([1]Benzofuro[3,2-b]pyridin-8-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 89850066

Frequently Asked Questions

What is the IUPAC name of 7-(3-carbazol-9-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine;6-(3-dibenzofuran-4-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine?
The IUPAC name of 7-(3-carbazol-9-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine;6-(3-dibenzofuran-4-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine (CID 158513706) is 7-(3-carbazol-9-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine;6-(3-dibenzofuran-4-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine.
What is the SMILES notation for 7-(3-carbazol-9-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine;6-(3-dibenzofuran-4-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine?
The canonical SMILES for 7-(3-carbazol-9-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine;6-(3-dibenzofuran-4-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine is c1cc(-c2cccc3c2oc2ccccc23)cc(-c2cccc3c2oc2ncc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)nc23)c1.c1cc(-c2cnc3oc4cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc4c3n2)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 7-(3-carbazol-9-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine;6-(3-dibenzofuran-4-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine?
The InChIKey is HLJGFELQMZBYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3OS.C46H26N2O2S/c1-4-19-40-34(14-1)35-15-2-5-20-41(35)49(40)32-13-8-10-28(25-32)29-22-23-38-42(26-29)50-46-44(38)48-39(27-47-46)31-12-7-11-30(24-31)33-17-9-18-37-36-16-3-6-21-43(36)51-45(33)37;1-3-22-40-34(14-1)36-19-7-16-31(43(36)49-40)27-10-5-11-28(24-27)32-17-8-21-38-42-46(50-44(32)38)47-26-39(48-42)30-13-6-12-29(25-30)33-18-9-20-37-35-15-2-4-23-41(35)51-45(33)37/h1-27H;1-26H.
What are the key properties of 7-(3-carbazol-9-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine;6-(3-dibenzofuran-4-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine?
7-(3-carbazol-9-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine;6-(3-dibenzofuran-4-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine has a molecular weight of 1340.60 g/mol, XLogP of 26.15, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-carbazol-9-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine;6-(3-dibenzofuran-4-ylphenyl)-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[2,3-b]pyrazine is sourced from PubChem (CID 158513706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).