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

C34H19N5OS — CID 171756603

IUPAC4-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole
SMILESc1ccc2c(c1)oc1c(-c3nc(-c4cccc5scnc45)nc(-n4c5ccccc5c5ccccc54)n3)cccc12
InChIInChI=1S/C34H19N5OS/c1-4-15-26-20(9-1)21-10-2-5-16-27(21)39(26)34-37-32(24-13-8-18-29-30(24)35-19-41-29)36-33(38-34)25-14-7-12-23-22-11-3-6-17-28(22)40-31(23)25/h1-19H
InChIKeyCGIIIHOXXCGJIZ-UHFFFAOYSA-N
MW545.63 g/mol
LogP8.81
Rot. Bonds3

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

4-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole (PubChem CID 171756603) has the molecular formula C34H19N5OS and a molecular weight of 545.63 g/mol. Its IUPAC name is 4-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name4-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole
PubChem CID171756603
Molecular FormulaC34H19N5OS
Molecular Weight545.63 g/mol
Exact Mass545.13
IUPAC Name4-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole
SMILESc1ccc2c(c1)oc1c(-c3nc(-c4cccc5scnc45)nc(-n4c5ccccc5c5ccccc54)n3)cccc12
InChIInChI=1S/C34H19N5OS/c1-4-15-26-20(9-1)21-10-2-5-16-27(21)39(26)34-37-32(24-13-8-18-29-30(24)35-19-41-29)36-33(38-34)25-14-7-12-23-22-11-3-6-17-28(22)40-31(23)25/h1-19H
InChIKeyCGIIIHOXXCGJIZ-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

2-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole
CID 171756583
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
4-[4-carbazol-9-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazole
CID 171756582
9-[6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole
CID 170373893
9-[4-(8-carbazol-9-yldibenzofuran-4-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]carbazole
CID 170369945
5-[3-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014814
9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)carbazole
CID 142377722
6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzothiazole
CID 171756575
9-[4-carbazol-9-yl-6-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742643
11-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 118153977
14-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176837448

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole?
The IUPAC name of 4-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole (CID 171756603) is 4-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole.
What is the SMILES notation for 4-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole?
The canonical SMILES for 4-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole is c1ccc2c(c1)oc1c(-c3nc(-c4cccc5scnc45)nc(-n4c5ccccc5c5ccccc54)n3)cccc12.
What is the InChIKey of 4-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole?
The InChIKey is CGIIIHOXXCGJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19N5OS/c1-4-15-26-20(9-1)21-10-2-5-16-27(21)39(26)34-37-32(24-13-8-18-29-30(24)35-19-41-29)36-33(38-34)25-14-7-12-23-22-11-3-6-17-28(22)40-31(23)25/h1-19H.
What are the key properties of 4-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole?
4-(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 4-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 171756603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).