2-(3-carbazol-9-ylphenyl)-8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazine

C40H23N3S2 — CID 146600253

IUPAC2-(3-carbazol-9-ylphenyl)-8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazine
SMILESc1cc(-c2cnc3sc4ccc(-c5cccc6c5sc5ccccc56)cc4c3n2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C40H23N3S2/c1-4-16-34-28(11-1)29-12-2-5-17-35(29)43(34)26-10-7-9-25(21-26)33-23-41-40-38(42-33)32-22-24(19-20-37(32)45-40)27-14-8-15-31-30-13-3-6-18-36(30)44-39(27)31/h1-23H
InChIKeyIVIRGGPAGFPCME-UHFFFAOYSA-N
MW609.78 g/mol
LogP11.64
Rot. Bonds3

About 2-(3-carbazol-9-ylphenyl)-8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazine

2-(3-carbazol-9-ylphenyl)-8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazine (PubChem CID 146600253) has the molecular formula C40H23N3S2 and a molecular weight of 609.78 g/mol. Its IUPAC name is 2-(3-carbazol-9-ylphenyl)-8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-(3-carbazol-9-ylphenyl)-8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazine
PubChem CID146600253
Molecular FormulaC40H23N3S2
Molecular Weight609.78 g/mol
Exact Mass609.13
IUPAC Name2-(3-carbazol-9-ylphenyl)-8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazine
SMILESc1cc(-c2cnc3sc4ccc(-c5cccc6c5sc5ccccc56)cc4c3n2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C40H23N3S2/c1-4-16-34-28(11-1)29-12-2-5-17-35(29)43(34)26-10-7-9-25(21-26)33-23-41-40-38(42-33)32-22-24(19-20-37(32)45-40)27-14-8-15-31-30-13-3-6-18-36(30)44-39(27)31/h1-23H
InChIKeyIVIRGGPAGFPCME-UHFFFAOYSA-N
XLogP11.64
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.78
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,8-bis(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine;3-dibenzothiophen-4-yl-8-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine
CID 158587885
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
3-dibenzothiophen-4-yl-9-[3-[6-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazole
CID 153214639
9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole
CID 140627731
9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
CID 67121574
2-(3-dibenzothiophen-4-ylphenyl)-8-(3-phenanthren-9-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine;2-(3-dibenzothiophen-4-ylphenyl)-8-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine
CID 157363541
7-(3-carbazol-9-ylphenyl)-10-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine
CID 89417098
6-dibenzothiophen-4-yl-2-(3-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine
CID 146600343
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole
CID 155793691
3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[3,4-b]indole
CID 70847777
9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]carbazole;9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-[3-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158652173

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbazol-9-ylphenyl)-8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazine?
The IUPAC name of 2-(3-carbazol-9-ylphenyl)-8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazine (CID 146600253) is 2-(3-carbazol-9-ylphenyl)-8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazine.
What is the SMILES notation for 2-(3-carbazol-9-ylphenyl)-8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazine?
The canonical SMILES for 2-(3-carbazol-9-ylphenyl)-8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazine is c1cc(-c2cnc3sc4ccc(-c5cccc6c5sc5ccccc56)cc4c3n2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 2-(3-carbazol-9-ylphenyl)-8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazine?
The InChIKey is IVIRGGPAGFPCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N3S2/c1-4-16-34-28(11-1)29-12-2-5-17-35(29)43(34)26-10-7-9-25(21-26)33-23-41-40-38(42-33)32-22-24(19-20-37(32)45-40)27-14-8-15-31-30-13-3-6-18-36(30)44-39(27)31/h1-23H.
What are the key properties of 2-(3-carbazol-9-ylphenyl)-8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazine?
2-(3-carbazol-9-ylphenyl)-8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazine has a molecular weight of 609.78 g/mol, XLogP of 11.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbazol-9-ylphenyl)-8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazine is sourced from PubChem (CID 146600253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).