2-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole

C34H19N5OS — CID 171756583

IUPAC2-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole
SMILESc1ccc2sc(-c3nc(-c4cccc5c4oc4ccccc45)nc(-n4c5ccccc5c5ccccc54)n3)nc2c1
InChIInChI=1S/C34H19N5OS/c1-5-16-26-20(10-1)21-11-2-6-17-27(21)39(26)34-37-31(36-32(38-34)33-35-25-15-4-8-19-29(25)41-33)24-14-9-13-23-22-12-3-7-18-28(22)40-30(23)24/h1-19H
InChIKeyFGJATRDUAJMBIM-UHFFFAOYSA-N
MW545.63 g/mol
LogP8.81
Rot. Bonds3

About 2-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole

2-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole (PubChem CID 171756583) has the molecular formula C34H19N5OS and a molecular weight of 545.63 g/mol. Its IUPAC name is 2-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole
PubChem CID171756583
Molecular FormulaC34H19N5OS
Molecular Weight545.63 g/mol
Exact Mass545.13
IUPAC Name2-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole
SMILESc1ccc2sc(-c3nc(-c4cccc5c4oc4ccccc45)nc(-n4c5ccccc5c5ccccc54)n3)nc2c1
InChIInChI=1S/C34H19N5OS/c1-5-16-26-20(10-1)21-11-2-6-17-27(21)39(26)34-37-31(36-32(38-34)33-35-25-15-4-8-19-29(25)41-33)24-14-9-13-23-22-12-3-7-18-28(22)40-30(23)24/h1-19H
InChIKeyFGJATRDUAJMBIM-UHFFFAOYSA-N
XLogP8.81
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.63
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzothiazole
CID 171756575
2-[3-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-1,3-benzothiazole;2-[4-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-1,3-benzothiazole
CID 158542008
4-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole
CID 171756603
9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572704
3-dibenzofuran-2-yl-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 121449444
9-[6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole
CID 170373893
7-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole
CID 176756182
2-[4-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-1,3-benzothiazole
CID 147296316
9-[4-(8-carbazol-9-yldibenzofuran-4-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]carbazole
CID 170369945
9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)carbazole
CID 142377722
9-[4-(8-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166952407
9-[4-carbazol-9-yl-6-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742643

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole?
The IUPAC name of 2-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole (CID 171756583) is 2-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole is c1ccc2sc(-c3nc(-c4cccc5c4oc4ccccc45)nc(-n4c5ccccc5c5ccccc54)n3)nc2c1.
What is the InChIKey of 2-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole?
The InChIKey is FGJATRDUAJMBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19N5OS/c1-5-16-26-20(10-1)21-11-2-6-17-27(21)39(26)34-37-31(36-32(38-34)33-35-25-15-4-8-19-29(25)41-33)24-14-9-13-23-22-12-3-7-18-28(22)40-30(23)24/h1-19H.
What are the key properties of 2-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole?
2-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole has a molecular weight of 545.63 g/mol, XLogP of 8.81, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 171756583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).