3-dibenzothiophen-2-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole

C57H34N4OS — CID 118507720

IUPAC3-dibenzothiophen-2-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6cc(-c8ccc9sc%10ccccc%10c9c8)ccc6n7-c6ccccc6)cc5c34)n2)cc1
InChIInChI=1S/C57H34N4OS/c1-4-13-35(14-5-1)55-58-56(36-15-6-2-7-16-36)60-57(59-55)43-20-12-21-51-54(43)47-34-39(25-29-50(47)62-51)37-23-27-48-44(31-37)45-32-38(24-28-49(45)61(48)41-17-8-3-9-18-41)40-26-30-53-46(33-40)42-19-10-11-22-52(42)63-53/h1-34H
InChIKeyUBJQGWHUELSLPB-UHFFFAOYSA-N
MW822.99 g/mol
LogP15.57
Rot. Bonds6

About 3-dibenzothiophen-2-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole

3-dibenzothiophen-2-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole (PubChem CID 118507720) has the molecular formula C57H34N4OS and a molecular weight of 822.99 g/mol. Its IUPAC name is 3-dibenzothiophen-2-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-dibenzothiophen-2-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
PubChem CID118507720
Molecular FormulaC57H34N4OS
Molecular Weight822.99 g/mol
Exact Mass822.25
IUPAC Name3-dibenzothiophen-2-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6cc(-c8ccc9sc%10ccccc%10c9c8)ccc6n7-c6ccccc6)cc5c34)n2)cc1
InChIInChI=1S/C57H34N4OS/c1-4-13-35(14-5-1)55-58-56(36-15-6-2-7-16-36)60-57(59-55)43-20-12-21-51-54(43)47-34-39(25-29-50(47)62-51)37-23-27-48-44(31-37)45-32-38(24-28-49(45)61(48)41-17-8-3-9-18-41)40-26-30-53-46(33-40)42-19-10-11-22-52(42)63-53/h1-34H
InChIKeyUBJQGWHUELSLPB-UHFFFAOYSA-N
XLogP15.57
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.99
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-2-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-dibenzothiophen-2-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole (CID 118507720) is 3-dibenzothiophen-2-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-dibenzothiophen-2-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-dibenzothiophen-2-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6cc(-c8ccc9sc%10ccccc%10c9c8)ccc6n7-c6ccccc6)cc5c34)n2)cc1.
What is the InChIKey of 3-dibenzothiophen-2-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole?
The InChIKey is UBJQGWHUELSLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4OS/c1-4-13-35(14-5-1)55-58-56(36-15-6-2-7-16-36)60-57(59-55)43-20-12-21-51-54(43)47-34-39(25-29-50(47)62-51)37-23-27-48-44(31-37)45-32-38(24-28-49(45)61(48)41-17-8-3-9-18-41)40-26-30-53-46(33-40)42-19-10-11-22-52(42)63-53/h1-34H.
What are the key properties of 3-dibenzothiophen-2-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole?
3-dibenzothiophen-2-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole has a molecular weight of 822.99 g/mol, XLogP of 15.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-2-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 118507720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).