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

C21H12ClN3S — CID 135379549

IUPAC2-chloro-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2ccc3sc4ccccc4c3c2)n1
InChIInChI=1S/C21H12ClN3S/c22-21-24-19(13-6-2-1-3-7-13)23-20(25-21)14-10-11-18-16(12-14)15-8-4-5-9-17(15)26-18/h1-12H
InChIKeyJOPHRPJSVNUHJH-UHFFFAOYSA-N
MW373.87 g/mol
LogP6.23
Rot. Bonds2

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

2-chloro-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine (PubChem CID 135379549) has the molecular formula C21H12ClN3S and a molecular weight of 373.87 g/mol. Its IUPAC name is 2-chloro-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
PubChem CID135379549
Molecular FormulaC21H12ClN3S
Molecular Weight373.87 g/mol
Exact Mass373.04
IUPAC Name2-chloro-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2ccc3sc4ccccc4c3c2)n1
InChIInChI=1S/C21H12ClN3S/c22-21-24-19(13-6-2-1-3-7-13)23-20(25-21)14-10-11-18-16(12-14)15-8-4-5-9-17(15)26-18/h1-12H
InChIKeyJOPHRPJSVNUHJH-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-2-yl-4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050112
2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 163871396
2-dibenzothiophen-2-yl-4-phenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 171597129
2-(7-dibenzothiophen-2-yldibenzothiophen-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155377206
2-[8-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192267
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 161440420
2-(3-dibenzothiophen-2-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118650929
2-dibenzothiophen-3-yl-4-[4-dibenzothiophen-2-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146648181
CID 164975367
CID 164975367
2-chloro-4-dibenzothiophen-2-yl-6-phenanthren-1-yl-1,3,5-triazine
CID 170691075
2,4-diphenyl-6-[8-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 166952615
2-dibenzothiophen-2-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050063

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine (CID 135379549) is 2-chloro-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine is Clc1nc(-c2ccccc2)nc(-c2ccc3sc4ccccc4c3c2)n1.
What is the InChIKey of 2-chloro-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine?
The InChIKey is JOPHRPJSVNUHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClN3S/c22-21-24-19(13-6-2-1-3-7-13)23-20(25-21)14-10-11-18-16(12-14)15-8-4-5-9-17(15)26-18/h1-12H.
What are the key properties of 2-chloro-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine?
2-chloro-4-dibenzothiophen-2-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-2-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 135379549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).