2-tert-butyl-4-dibenzothiophen-3-yl-6-propan-2-yl-1,3,5-triazine

C22H23N3S — CID 170008920

IUPAC2-tert-butyl-4-dibenzothiophen-3-yl-6-propan-2-yl-1,3,5-triazine
SMILESCC(C)c1nc(-c2ccc3c(c2)sc2ccccc23)nc(C(C)(C)C)n1
InChIInChI=1S/C22H23N3S/c1-13(2)19-23-20(25-21(24-19)22(3,4)5)14-10-11-16-15-8-6-7-9-17(15)26-18(16)12-14/h6-13H,1-5H3
InChIKeyFVHGLWWIQNLIGW-UHFFFAOYSA-N
MW361.51 g/mol
LogP6.33
Rot. Bonds2

About 2-tert-butyl-4-dibenzothiophen-3-yl-6-propan-2-yl-1,3,5-triazine

2-tert-butyl-4-dibenzothiophen-3-yl-6-propan-2-yl-1,3,5-triazine (PubChem CID 170008920) has the molecular formula C22H23N3S and a molecular weight of 361.51 g/mol. Its IUPAC name is 2-tert-butyl-4-dibenzothiophen-3-yl-6-propan-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-tert-butyl-4-dibenzothiophen-3-yl-6-propan-2-yl-1,3,5-triazine
PubChem CID170008920
Molecular FormulaC22H23N3S
Molecular Weight361.51 g/mol
Exact Mass361.16
IUPAC Name2-tert-butyl-4-dibenzothiophen-3-yl-6-propan-2-yl-1,3,5-triazine
SMILESCC(C)c1nc(-c2ccc3c(c2)sc2ccccc23)nc(C(C)(C)C)n1
InChIInChI=1S/C22H23N3S/c1-13(2)19-23-20(25-21(24-19)22(3,4)5)14-10-11-16-15-8-6-7-9-17(15)26-18(16)12-14/h6-13H,1-5H3
InChIKeyFVHGLWWIQNLIGW-UHFFFAOYSA-N
XLogP6.33
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.51
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzothiophen-3-yl-4-phenyl-6-propan-2-yl-1,3,5-triazine
CID 158748494
4-dibenzothiophen-3-yl-2-propan-2-ylquinazoline
CID 163797319
2,4-di(dibenzothiophen-3-yl)-6-methyl-1,3,5-triazine
CID 155603296
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-dibenzothiophen-3-yl-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 138659637
2-[7-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170192093
2-(4-dibenzothiophen-3-ylphenyl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850210
2-tert-butyl-4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 177113429
2-dibenzothiophen-2-yl-4-phenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 171597129
2-dibenzothiophen-3-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 156673310

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-dibenzothiophen-3-yl-6-propan-2-yl-1,3,5-triazine?
The IUPAC name of 2-tert-butyl-4-dibenzothiophen-3-yl-6-propan-2-yl-1,3,5-triazine (CID 170008920) is 2-tert-butyl-4-dibenzothiophen-3-yl-6-propan-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-tert-butyl-4-dibenzothiophen-3-yl-6-propan-2-yl-1,3,5-triazine?
The canonical SMILES for 2-tert-butyl-4-dibenzothiophen-3-yl-6-propan-2-yl-1,3,5-triazine is CC(C)c1nc(-c2ccc3c(c2)sc2ccccc23)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-dibenzothiophen-3-yl-6-propan-2-yl-1,3,5-triazine?
The InChIKey is FVHGLWWIQNLIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3S/c1-13(2)19-23-20(25-21(24-19)22(3,4)5)14-10-11-16-15-8-6-7-9-17(15)26-18(16)12-14/h6-13H,1-5H3.
What are the key properties of 2-tert-butyl-4-dibenzothiophen-3-yl-6-propan-2-yl-1,3,5-triazine?
2-tert-butyl-4-dibenzothiophen-3-yl-6-propan-2-yl-1,3,5-triazine has a molecular weight of 361.51 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-dibenzothiophen-3-yl-6-propan-2-yl-1,3,5-triazine is sourced from PubChem (CID 170008920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).