2-dibenzothiophen-4-yl-4-iodo-6-methyl-1,3,5-triazine

C16H10IN3S — CID 170186944

IUPAC2-dibenzothiophen-4-yl-4-iodo-6-methyl-1,3,5-triazine
SMILESCc1nc(I)nc(-c2cccc3c2sc2ccccc23)n1
InChIInChI=1S/C16H10IN3S/c1-9-18-15(20-16(17)19-9)12-7-4-6-11-10-5-2-3-8-13(10)21-14(11)12/h2-8H,1H3
InChIKeyAJDJBYYIBLMKJF-UHFFFAOYSA-N
MW403.25 g/mol
LogP4.82
Rot. Bonds1

About 2-dibenzothiophen-4-yl-4-iodo-6-methyl-1,3,5-triazine

2-dibenzothiophen-4-yl-4-iodo-6-methyl-1,3,5-triazine (PubChem CID 170186944) has the molecular formula C16H10IN3S and a molecular weight of 403.25 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-iodo-6-methyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-iodo-6-methyl-1,3,5-triazine
PubChem CID170186944
Molecular FormulaC16H10IN3S
Molecular Weight403.25 g/mol
Exact Mass402.96
IUPAC Name2-dibenzothiophen-4-yl-4-iodo-6-methyl-1,3,5-triazine
SMILESCc1nc(I)nc(-c2cccc3c2sc2ccccc23)n1
InChIInChI=1S/C16H10IN3S/c1-9-18-15(20-16(17)19-9)12-7-4-6-11-10-5-2-3-8-13(10)21-14(11)12/h2-8H,1H3
InChIKeyAJDJBYYIBLMKJF-UHFFFAOYSA-N
XLogP4.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.25
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-dibenzothiophen-4-yl-4,6-dimethyl-1,3,5-triazine
CID 134472341
2-dibenzofuran-4-yl-4-dibenzothiophen-4-yl-6-methyl-1,3,5-triazine
CID 155603268
2-dibenzothiophen-4-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168831660
2,4-di(dibenzothiophen-4-yl)-6-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-1,3,5-triazine
CID 137393507
2-dibenzothiophen-4-yl-4-iodo-6-(2-phenylphenyl)pyrimidine
CID 146943637
2-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953027
2,4-di(dibenzothiophen-4-yl)-6-(2-phenanthren-9-ylphenyl)-1,3,5-triazine
CID 167349299
2-chloro-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 118539812
3-dibenzothiophen-4-yl-1-methyl-5-phenyl-1,2,4-triazole
CID 121344276
2-dibenzothiophen-4-yl-4-ethyl-6-phenyl-1,3,5-triazine
CID 146367883
2-dibenzothiophen-4-yl-4-[4-(3,5-dimethylphenyl)naphthalen-1-yl]-6-[4-(3,5-dimethylphenyl)phenyl]-1,3,5-triazine
CID 139442107
2-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 164737126

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-iodo-6-methyl-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-4-yl-4-iodo-6-methyl-1,3,5-triazine (CID 170186944) is 2-dibenzothiophen-4-yl-4-iodo-6-methyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-iodo-6-methyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-iodo-6-methyl-1,3,5-triazine is Cc1nc(I)nc(-c2cccc3c2sc2ccccc23)n1.
What is the InChIKey of 2-dibenzothiophen-4-yl-4-iodo-6-methyl-1,3,5-triazine?
The InChIKey is AJDJBYYIBLMKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10IN3S/c1-9-18-15(20-16(17)19-9)12-7-4-6-11-10-5-2-3-8-13(10)21-14(11)12/h2-8H,1H3.
What are the key properties of 2-dibenzothiophen-4-yl-4-iodo-6-methyl-1,3,5-triazine?
2-dibenzothiophen-4-yl-4-iodo-6-methyl-1,3,5-triazine has a molecular weight of 403.25 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-4-iodo-6-methyl-1,3,5-triazine is sourced from PubChem (CID 170186944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).