2,4-di(dibenzothiophen-3-yl)-6-methyl-1,3,5-triazine

C28H17N3S2 — CID 155603296

IUPAC2,4-di(dibenzothiophen-3-yl)-6-methyl-1,3,5-triazine
SMILESCc1nc(-c2ccc3c(c2)sc2ccccc23)nc(-c2ccc3c(c2)sc2ccccc23)n1
InChIInChI=1S/C28H17N3S2/c1-16-29-27(17-10-12-21-19-6-2-4-8-23(19)32-25(21)14-17)31-28(30-16)18-11-13-22-20-7-3-5-9-24(20)33-26(22)15-18/h2-15H,1H3
InChIKeyFRLBYZVKWKKYCT-UHFFFAOYSA-N
MW459.60 g/mol
LogP8.25
Rot. Bonds2

About 2,4-di(dibenzothiophen-3-yl)-6-methyl-1,3,5-triazine

2,4-di(dibenzothiophen-3-yl)-6-methyl-1,3,5-triazine (PubChem CID 155603296) has the molecular formula C28H17N3S2 and a molecular weight of 459.60 g/mol. Its IUPAC name is 2,4-di(dibenzothiophen-3-yl)-6-methyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-di(dibenzothiophen-3-yl)-6-methyl-1,3,5-triazine
PubChem CID155603296
Molecular FormulaC28H17N3S2
Molecular Weight459.60 g/mol
Exact Mass459.09
IUPAC Name2,4-di(dibenzothiophen-3-yl)-6-methyl-1,3,5-triazine
SMILESCc1nc(-c2ccc3c(c2)sc2ccccc23)nc(-c2ccc3c(c2)sc2ccccc23)n1
InChIInChI=1S/C28H17N3S2/c1-16-29-27(17-10-12-21-19-6-2-4-8-23(19)32-25(21)14-17)31-28(30-16)18-11-13-22-20-7-3-5-9-24(20)33-26(22)15-18/h2-15H,1H3
InChIKeyFRLBYZVKWKKYCT-UHFFFAOYSA-N
XLogP8.25
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.60
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-dibenzothiophen-3-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 138654698
2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 138613779
2-[7-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170192093
2-dibenzothiophen-3-yl-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 138659637
2-(4-dibenzothiophen-3-ylphenyl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850210
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-dibenzothiophen-3-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 156673310
2-dibenzothiophen-3-yl-4-phenyl-6-propan-2-yl-1,3,5-triazine
CID 158748494
2,4-diphenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 154624619
2,4-diphenyl-6-[7-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 169059274

Frequently Asked Questions

What is the IUPAC name of 2,4-di(dibenzothiophen-3-yl)-6-methyl-1,3,5-triazine?
The IUPAC name of 2,4-di(dibenzothiophen-3-yl)-6-methyl-1,3,5-triazine (CID 155603296) is 2,4-di(dibenzothiophen-3-yl)-6-methyl-1,3,5-triazine.
What is the SMILES notation for 2,4-di(dibenzothiophen-3-yl)-6-methyl-1,3,5-triazine?
The canonical SMILES for 2,4-di(dibenzothiophen-3-yl)-6-methyl-1,3,5-triazine is Cc1nc(-c2ccc3c(c2)sc2ccccc23)nc(-c2ccc3c(c2)sc2ccccc23)n1.
What is the InChIKey of 2,4-di(dibenzothiophen-3-yl)-6-methyl-1,3,5-triazine?
The InChIKey is FRLBYZVKWKKYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17N3S2/c1-16-29-27(17-10-12-21-19-6-2-4-8-23(19)32-25(21)14-17)31-28(30-16)18-11-13-22-20-7-3-5-9-24(20)33-26(22)15-18/h2-15H,1H3.
What are the key properties of 2,4-di(dibenzothiophen-3-yl)-6-methyl-1,3,5-triazine?
2,4-di(dibenzothiophen-3-yl)-6-methyl-1,3,5-triazine has a molecular weight of 459.60 g/mol, XLogP of 8.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(dibenzothiophen-3-yl)-6-methyl-1,3,5-triazine is sourced from PubChem (CID 155603296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).