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

C86H50N6S4 — CID 158587885

IUPAC2,8-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
SMILESc1cc(-c2ccc3sc4nc(-c5cccc6c5sc5ccccc56)cnc4c3c2)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2ccc3sc4ncc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)nc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C46H28N4S.C40H22N2S3/c1-5-19-40-34(15-1)35-16-2-6-20-41(35)49(40)32-13-9-11-29(25-32)30-23-24-44-38(27-30)45-46(51-44)47-28-39(48-45)31-12-10-14-33(26-31)50-42-21-7-3-17-36(42)37-18-4-8-22-43(37)50;1-3-16-34-27(10-1)29-13-6-12-26(38(29)43-34)25-9-5-8-23(20-25)24-18-19-36-32(21-24)37-40(45-36)42-33(22-41-37)31-15-7-14-30-28-11-2-4-17-35(28)44-39(30)31/h1-28H;1-22H
InChIKeyHUBBKIQYNXIDST-UHFFFAOYSA-N
MW1295.66 g/mol
LogP24.95
Rot. Bonds7

About 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

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 (PubChem CID 158587885) has the molecular formula C86H50N6S4 and a molecular weight of 1295.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,8-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
PubChem CID158587885
Molecular FormulaC86H50N6S4
Molecular Weight1295.66 g/mol
Exact Mass1294.30
IUPAC Name2,8-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
SMILESc1cc(-c2ccc3sc4nc(-c5cccc6c5sc5ccccc56)cnc4c3c2)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2ccc3sc4ncc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)nc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C46H28N4S.C40H22N2S3/c1-5-19-40-34(15-1)35-16-2-6-20-41(35)49(40)32-13-9-11-29(25-32)30-23-24-44-38(27-30)45-46(51-44)47-28-39(48-45)31-12-10-14-33(26-31)50-42-21-7-3-17-36(42)37-18-4-8-22-43(37)50;1-3-16-34-27(10-1)29-13-6-12-26(38(29)43-34)25-9-5-8-23(20-25)24-18-19-36-32(21-24)37-40(45-36)42-33(22-41-37)31-15-7-14-30-28-11-2-4-17-35(28)44-39(30)31/h1-28H;1-22H
InChIKeyHUBBKIQYNXIDST-UHFFFAOYSA-N
XLogP24.95
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001295.66
LogP ≤ 524.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

2-(3-carbazol-9-ylphenyl)-8-dibenzothiophen-4-yl-[1]benzothiolo[2,3-b]pyrazine
CID 146600253
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
9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole
CID 140627731
7-(3-carbazol-9-ylphenyl)-10-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine
CID 89417098
3,8-bis(3-benzo[a]carbazol-11-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine
CID 146600800
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
3-dibenzothiophen-4-yl-9-[3-[6-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazole
CID 153214639
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
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
3-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[3,4-b]indole
CID 70847777

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc(-c2ccc3sc4nc(-c5cccc6c5sc5ccccc56)cnc4c3c2)cc(-c2cccc3c2sc2ccccc23)c1.c1cc(-c2ccc3sc4ncc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)nc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 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?
The InChIKey is HUBBKIQYNXIDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4S.C40H22N2S3/c1-5-19-40-34(15-1)35-16-2-6-20-41(35)49(40)32-13-9-11-29(25-32)30-23-24-44-38(27-30)45-46(51-44)47-28-39(48-45)31-12-10-14-33(26-31)50-42-21-7-3-17-36(42)37-18-4-8-22-43(37)50;1-3-16-34-27(10-1)29-13-6-12-26(38(29)43-34)25-9-5-8-23(20-25)24-18-19-36-32(21-24)37-40(45-36)42-33(22-41-37)31-15-7-14-30-28-11-2-4-17-35(28)44-39(30)31/h1-28H;1-22H.
What are the key properties of 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?
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 has a molecular weight of 1295.66 g/mol, XLogP of 24.95, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158587885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).