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

C24H19N3S — CID 158748494

IUPAC2-dibenzothiophen-3-yl-4-phenyl-6-propan-2-yl-1,3,5-triazine
SMILESCC(C)c1nc(-c2ccccc2)nc(-c2ccc3c(c2)sc2ccccc23)n1
InChIInChI=1S/C24H19N3S/c1-15(2)22-25-23(16-8-4-3-5-9-16)27-24(26-22)17-12-13-19-18-10-6-7-11-20(18)28-21(19)14-17/h3-15H,1-2H3
InChIKeyINECWRPMMNLGJS-UHFFFAOYSA-N
MW381.50 g/mol
LogP6.70
Rot. Bonds3

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

2-dibenzothiophen-3-yl-4-phenyl-6-propan-2-yl-1,3,5-triazine (PubChem CID 158748494) has the molecular formula C24H19N3S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-4-phenyl-6-propan-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-4-phenyl-6-propan-2-yl-1,3,5-triazine
PubChem CID158748494
Molecular FormulaC24H19N3S
Molecular Weight381.50 g/mol
Exact Mass381.13
IUPAC Name2-dibenzothiophen-3-yl-4-phenyl-6-propan-2-yl-1,3,5-triazine
SMILESCC(C)c1nc(-c2ccccc2)nc(-c2ccc3c(c2)sc2ccccc23)n1
InChIInChI=1S/C24H19N3S/c1-15(2)22-25-23(16-8-4-3-5-9-16)27-24(26-22)17-12-13-19-18-10-6-7-11-20(18)28-21(19)14-17/h3-15H,1-2H3
InChIKeyINECWRPMMNLGJS-UHFFFAOYSA-N
XLogP6.70
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.50
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-dibenzothiophen-3-yl-6-propan-2-yl-1,3,5-triazine
CID 170008920
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-[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
2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 138613779
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-dibenzothiophen-3-yl-4-phenyl-6-propan-2-yl-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-3-yl-4-phenyl-6-propan-2-yl-1,3,5-triazine (CID 158748494) is 2-dibenzothiophen-3-yl-4-phenyl-6-propan-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-3-yl-4-phenyl-6-propan-2-yl-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-3-yl-4-phenyl-6-propan-2-yl-1,3,5-triazine is CC(C)c1nc(-c2ccccc2)nc(-c2ccc3c(c2)sc2ccccc23)n1.
What is the InChIKey of 2-dibenzothiophen-3-yl-4-phenyl-6-propan-2-yl-1,3,5-triazine?
The InChIKey is INECWRPMMNLGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3S/c1-15(2)22-25-23(16-8-4-3-5-9-16)27-24(26-22)17-12-13-19-18-10-6-7-11-20(18)28-21(19)14-17/h3-15H,1-2H3.
What are the key properties of 2-dibenzothiophen-3-yl-4-phenyl-6-propan-2-yl-1,3,5-triazine?
2-dibenzothiophen-3-yl-4-phenyl-6-propan-2-yl-1,3,5-triazine has a molecular weight of 381.50 g/mol, XLogP of 6.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-3-yl-4-phenyl-6-propan-2-yl-1,3,5-triazine is sourced from PubChem (CID 158748494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).