2-chloro-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine

C21H12ClN3S — CID 118539812

IUPAC2-chloro-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2cccc3c2sc2ccccc23)n1
InChIInChI=1S/C21H12ClN3S/c22-21-24-19(13-7-2-1-3-8-13)23-20(25-21)16-11-6-10-15-14-9-4-5-12-17(14)26-18(15)16/h1-12H
InChIKeySKNADSBKOSKSNG-UHFFFAOYSA-N
MW373.87 g/mol
LogP6.23
Rot. Bonds2

About 2-chloro-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine

2-chloro-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine (PubChem CID 118539812) has the molecular formula C21H12ClN3S and a molecular weight of 373.87 g/mol. Its IUPAC name is 2-chloro-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
PubChem CID118539812
Molecular FormulaC21H12ClN3S
Molecular Weight373.87 g/mol
Exact Mass373.04
IUPAC Name2-chloro-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2cccc3c2sc2ccccc23)n1
InChIInChI=1S/C21H12ClN3S/c22-21-24-19(13-7-2-1-3-8-13)23-20(25-21)16-11-6-10-15-14-9-4-5-12-17(14)26-18(15)16/h1-12H
InChIKeySKNADSBKOSKSNG-UHFFFAOYSA-N
XLogP6.23
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.87
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzothiophen-4-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168831660
2-chloro-4-(4-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 156828340
2-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953027
2-chloro-4-dibenzothiophen-4-yl-6-(5-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 177278899
2-dibenzothiophen-4-yl-4-phenyl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155763972
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine
CID 155481250
2-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 164737126
2-naphtho[1,2-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine
CID 146658673
2-dibenzothiophen-4-yl-4-naphthalen-1-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 177112658
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]phenyl]-1,3,5-triazine
CID 170939935
2-dibenzothiophen-4-yl-4-ethyl-6-phenyl-1,3,5-triazine
CID 146367883
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazine
CID 139441835

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine (CID 118539812) is 2-chloro-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine is Clc1nc(-c2ccccc2)nc(-c2cccc3c2sc2ccccc23)n1.
What is the InChIKey of 2-chloro-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine?
The InChIKey is SKNADSBKOSKSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClN3S/c22-21-24-19(13-7-2-1-3-8-13)23-20(25-21)16-11-6-10-15-14-9-4-5-12-17(14)26-18(15)16/h1-12H.
What are the key properties of 2-chloro-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine?
2-chloro-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine has a molecular weight of 373.87 g/mol, XLogP of 6.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 118539812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).