3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole

C63H35N5O2S — CID 88878134

IUPAC3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc2c(c1)oc1c(-c3nc(-c4cccc5c4oc4ccccc45)nc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8cccc9c8sc8ccccc89)c7c6)ccc54)n3)cccc12
InChIInChI=1S/C63H35N5O2S/c1-6-24-50-38(14-1)40-32-30-37(35-54(40)67(50)53-26-13-21-46-43-18-5-10-29-57(43)71-60(46)53)36-31-33-52-49(34-36)39-15-2-7-25-51(39)68(52)63-65-61(47-22-11-19-44-41-16-3-8-27-55(41)69-58(44)47)64-62(66-63)48-23-12-20-45-42-17-4-9-28-56(42)70-59(45)48/h1-35H
InChIKeyOYNLUWMHUHFKKL-UHFFFAOYSA-N
MW926.07 g/mol
LogP17.23
Rot. Bonds5

About 3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole

3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 88878134) has the molecular formula C63H35N5O2S and a molecular weight of 926.07 g/mol. Its IUPAC name is 3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
PubChem CID88878134
Molecular FormulaC63H35N5O2S
Molecular Weight926.07 g/mol
Exact Mass925.25
IUPAC Name3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc2c(c1)oc1c(-c3nc(-c4cccc5c4oc4ccccc45)nc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8cccc9c8sc8ccccc89)c7c6)ccc54)n3)cccc12
InChIInChI=1S/C63H35N5O2S/c1-6-24-50-38(14-1)40-32-30-37(35-54(40)67(50)53-26-13-21-46-43-18-5-10-29-57(43)71-60(46)53)36-31-33-52-49(34-36)39-15-2-7-25-51(39)68(52)63-65-61(47-22-11-19-44-41-16-3-8-27-55(41)69-58(44)47)64-62(66-63)48-23-12-20-45-42-17-4-9-28-56(42)70-59(45)48/h1-35H
InChIKeyOYNLUWMHUHFKKL-UHFFFAOYSA-N
XLogP17.23
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.07
LogP ≤ 517.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[9-[4,6-Bis(8-fluorodibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276711
3-[9-[6-(6-Fluorodibenzofuran-4-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole
CID 121276718
3-[9-[4-(8-Fluorodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276720
3-[9-[4,6-Bis(6-fluorodibenzofuran-4-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276724
3-[9-[4-(6-Fluorodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276735
3-[9-[4,6-Bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276741
3-[9-[4-(6-Fluorodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 121276746
3-[9-[4,6-Bis(6-fluorodibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 121276754
5-[2-[2-([1]Benzofuro[3,2-c]carbazol-5-yl)-5-[4-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 138554689
[8-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl] thiohypofluorite
CID 139421262
9-[3-[(E)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)prop-1-enyl]-2-(fluoromethyl)-[1]benzothiolo[6,5-b][1]benzofuran-7-yl]carbazole
CID 146664308
2-[7-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(4-fluorophenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 155050298

Frequently Asked Questions

What is the IUPAC name of 3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole (CID 88878134) is 3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole is c1ccc2c(c1)oc1c(-c3nc(-c4cccc5c4oc4ccccc45)nc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8cccc9c8sc8ccccc89)c7c6)ccc54)n3)cccc12.
What is the InChIKey of 3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is OYNLUWMHUHFKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H35N5O2S/c1-6-24-50-38(14-1)40-32-30-37(35-54(40)67(50)53-26-13-21-46-43-18-5-10-29-57(43)71-60(46)53)36-31-33-52-49(34-36)39-15-2-7-25-51(39)68(52)63-65-61(47-22-11-19-44-41-16-3-8-27-55(41)69-58(44)47)64-62(66-63)48-23-12-20-45-42-17-4-9-28-56(42)70-59(45)48/h1-35H.
What are the key properties of 3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole?
3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 926.07 g/mol, XLogP of 17.23, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 88878134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).