2-dibenzothiophen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine

C17H7Cl6N3S — CID 22614157

IUPAC2-dibenzothiophen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine
SMILESClC(Cl)(Cl)c1nc(-c2ccc3sc4ccccc4c3c2)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C17H7Cl6N3S/c18-16(19,20)14-24-13(25-15(26-14)17(21,22)23)8-5-6-12-10(7-8)9-3-1-2-4-11(9)27-12/h1-7H
InChIKeyGYCLUPKKLRLTMY-UHFFFAOYSA-N
MW498.05 g/mol
LogP7.56
Rot. Bonds1

About 2-dibenzothiophen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine

2-dibenzothiophen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine (PubChem CID 22614157) has the molecular formula C17H7Cl6N3S and a molecular weight of 498.05 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine
PubChem CID22614157
Molecular FormulaC17H7Cl6N3S
Molecular Weight498.05 g/mol
Exact Mass494.85
IUPAC Name2-dibenzothiophen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine
SMILESClC(Cl)(Cl)c1nc(-c2ccc3sc4ccccc4c3c2)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C17H7Cl6N3S/c18-16(19,20)14-24-13(25-15(26-14)17(21,22)23)8-5-6-12-10(7-8)9-3-1-2-4-11(9)27-12/h1-7H
InChIKeyGYCLUPKKLRLTMY-UHFFFAOYSA-N
XLogP7.56
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.05
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 135379549
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-[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-(4-dibenzothiophen-2-ylphenyl)-4,6-diphenylpyrimidine
CID 130210857
2-(3-dibenzothiophen-2-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118650929
N,N,4,6-tetra(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine
CID 171727083
2-dibenzothiophen-2-yl-4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171583426
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-pyrimidin-2-ylphenyl)-1,3,5-triazine
CID 130262213
2-[8-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192267

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine (CID 22614157) is 2-dibenzothiophen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine is ClC(Cl)(Cl)c1nc(-c2ccc3sc4ccccc4c3c2)nc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of 2-dibenzothiophen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine?
The InChIKey is GYCLUPKKLRLTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H7Cl6N3S/c18-16(19,20)14-24-13(25-15(26-14)17(21,22)23)8-5-6-12-10(7-8)9-3-1-2-4-11(9)27-12/h1-7H.
What are the key properties of 2-dibenzothiophen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine?
2-dibenzothiophen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine has a molecular weight of 498.05 g/mol, XLogP of 7.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine is sourced from PubChem (CID 22614157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).