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

C34H19N5OS — CID 171756608

IUPAC6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole
SMILESc1ccc2c(c1)oc1c(-c3nc(-c4ccc5ncsc5c4)nc(-n4c5ccccc5c5ccccc54)n3)cccc12
InChIInChI=1S/C34H19N5OS/c1-4-13-27-21(8-1)22-9-2-5-14-28(22)39(27)34-37-32(20-16-17-26-30(18-20)41-19-35-26)36-33(38-34)25-12-7-11-24-23-10-3-6-15-29(23)40-31(24)25/h1-19H
InChIKeyHRDGIPKHEKTUCO-UHFFFAOYSA-N
MW545.63 g/mol
LogP8.81
Rot. Bonds3

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

6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole (PubChem CID 171756608) has the molecular formula C34H19N5OS and a molecular weight of 545.63 g/mol. Its IUPAC name is 6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole
PubChem CID171756608
Molecular FormulaC34H19N5OS
Molecular Weight545.63 g/mol
Exact Mass545.13
IUPAC Name6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole
SMILESc1ccc2c(c1)oc1c(-c3nc(-c4ccc5ncsc5c4)nc(-n4c5ccccc5c5ccccc54)n3)cccc12
InChIInChI=1S/C34H19N5OS/c1-4-13-27-21(8-1)22-9-2-5-14-28(22)39(27)34-37-32(20-16-17-26-30(18-20)41-19-35-26)36-33(38-34)25-12-7-11-24-23-10-3-6-15-29(23)40-31(24)25/h1-19H
InChIKeyHRDGIPKHEKTUCO-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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Frequently Asked Questions

What is the IUPAC name of 6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole?
The IUPAC name of 6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole (CID 171756608) is 6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole.
What is the SMILES notation for 6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole?
The canonical SMILES for 6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole is c1ccc2c(c1)oc1c(-c3nc(-c4ccc5ncsc5c4)nc(-n4c5ccccc5c5ccccc54)n3)cccc12.
What is the InChIKey of 6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole?
The InChIKey is HRDGIPKHEKTUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19N5OS/c1-4-13-27-21(8-1)22-9-2-5-14-28(22)39(27)34-37-32(20-16-17-26-30(18-20)41-19-35-26)36-33(38-34)25-12-7-11-24-23-10-3-6-15-29(23)40-31(24)25/h1-19H.
What are the key properties of 6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole?
6-(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 6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 171756608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).