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

C34H19N5S2 — CID 171756559

IUPAC5-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole
SMILESc1ccc2c(c1)sc1c(-c3nc(-c4ccc5scnc5c4)nc(-n4c5ccccc5c5ccccc54)n3)cccc12
InChIInChI=1S/C34H19N5S2/c1-4-13-27-21(8-1)22-9-2-5-14-28(22)39(27)34-37-32(20-16-17-30-26(18-20)35-19-40-30)36-33(38-34)25-12-7-11-24-23-10-3-6-15-29(23)41-31(24)25/h1-19H
InChIKeyQAAWKVOPYOLSKH-UHFFFAOYSA-N
MW561.70 g/mol
LogP9.28
Rot. Bonds3

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

5-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole (PubChem CID 171756559) has the molecular formula C34H19N5S2 and a molecular weight of 561.70 g/mol. Its IUPAC name is 5-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name5-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole
PubChem CID171756559
Molecular FormulaC34H19N5S2
Molecular Weight561.70 g/mol
Exact Mass561.11
IUPAC Name5-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole
SMILESc1ccc2c(c1)sc1c(-c3nc(-c4ccc5scnc5c4)nc(-n4c5ccccc5c5ccccc54)n3)cccc12
InChIInChI=1S/C34H19N5S2/c1-4-13-27-21(8-1)22-9-2-5-14-28(22)39(27)34-37-32(20-16-17-30-26(18-20)35-19-40-30)36-33(38-34)25-12-7-11-24-23-10-3-6-15-29(23)41-31(24)25/h1-19H
InChIKeyQAAWKVOPYOLSKH-UHFFFAOYSA-N
XLogP9.28
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.70
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole
CID 171756531
9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylcarbazole
CID 90077403
6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzothiazole
CID 171756581
9-[4-dibenzothiophen-4-yl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742559
9-[2-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 153176300
9-[4-[3-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358100
12-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 146642309
12-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166916090
2-(3-dibenzothiophen-4-ylphenyl)-9-[4-phenyl-6-[3-[6-(3-triphenylen-2-ylphenyl)dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 145097430
2-(3-dibenzothiophen-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-(3-triphenylen-2-ylphenyl)dibenzothiophene
CID 161177028
2-[4-dibenzothiophen-4-yl-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 171445636
9-[8-[4-dibenzothiophen-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]carbazole
CID 162055550

Frequently Asked Questions

What is the IUPAC name of 5-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole?
The IUPAC name of 5-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole (CID 171756559) is 5-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole.
What is the SMILES notation for 5-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole?
The canonical SMILES for 5-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole is c1ccc2c(c1)sc1c(-c3nc(-c4ccc5scnc5c4)nc(-n4c5ccccc5c5ccccc54)n3)cccc12.
What is the InChIKey of 5-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole?
The InChIKey is QAAWKVOPYOLSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19N5S2/c1-4-13-27-21(8-1)22-9-2-5-14-28(22)39(27)34-37-32(20-16-17-30-26(18-20)35-19-40-30)36-33(38-34)25-12-7-11-24-23-10-3-6-15-29(23)41-31(24)25/h1-19H.
What are the key properties of 5-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole?
5-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole has a molecular weight of 561.70 g/mol, XLogP of 9.28, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 171756559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).