2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine

C28H21N3S — CID 134198668

IUPAC2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESCc1ccc2sc3ccc(C4=NC(c5ccccc5)N=C(c5ccccc5)N4)cc3c2c1
InChIInChI=1S/C28H21N3S/c1-18-12-14-24-22(16-18)23-17-21(13-15-25(23)32-24)28-30-26(19-8-4-2-5-9-19)29-27(31-28)20-10-6-3-7-11-20/h2-17,26H,1H3,(H,29,30,31)
InChIKeyKPOLNNCKDDQHTL-UHFFFAOYSA-N
MW431.56 g/mol
LogP6.86
Rot. Bonds3

About 2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine

2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 134198668) has the molecular formula C28H21N3S and a molecular weight of 431.56 g/mol. Its IUPAC name is 2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
PubChem CID134198668
Molecular FormulaC28H21N3S
Molecular Weight431.56 g/mol
Exact Mass431.15
IUPAC Name2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESCc1ccc2sc3ccc(C4=NC(c5ccccc5)N=C(c5ccccc5)N4)cc3c2c1
InChIInChI=1S/C28H21N3S/c1-18-12-14-24-22(16-18)23-17-21(13-15-25(23)32-24)28-30-26(19-8-4-2-5-9-19)29-27(31-28)20-10-6-3-7-11-20/h2-17,26H,1H3,(H,29,30,31)
InChIKeyKPOLNNCKDDQHTL-UHFFFAOYSA-N
XLogP6.86
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine (CID 134198668) is 2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine is Cc1ccc2sc3ccc(C4=NC(c5ccccc5)N=C(c5ccccc5)N4)cc3c2c1.
What is the InChIKey of 2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is KPOLNNCKDDQHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3S/c1-18-12-14-24-22(16-18)23-17-21(13-15-25(23)32-24)28-30-26(19-8-4-2-5-9-19)29-27(31-28)20-10-6-3-7-11-20/h2-17,26H,1H3,(H,29,30,31).
What are the key properties of 2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 431.56 g/mol, XLogP of 6.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyldibenzothiophen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 134198668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).