4-(2,3-dimethoxyphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine

C23H21N3O2 — CID 102229188

IUPAC4-(2,3-dimethoxyphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESCOc1cccc(C2N=C(c3ccccc3)NC(c3ccccc3)=N2)c1OC
InChIInChI=1S/C23H21N3O2/c1-27-19-15-9-14-18(20(19)28-2)23-25-21(16-10-5-3-6-11-16)24-22(26-23)17-12-7-4-8-13-17/h3-15,23H,1-2H3,(H,24,25,26)
InChIKeyJOUHGSBMZDYTAW-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.20
Rot. Bonds5

About 4-(2,3-dimethoxyphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine

4-(2,3-dimethoxyphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 102229188) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-(2,3-dimethoxyphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-(2,3-dimethoxyphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
PubChem CID102229188
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name4-(2,3-dimethoxyphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESCOc1cccc(C2N=C(c3ccccc3)NC(c3ccccc3)=N2)c1OC
InChIInChI=1S/C23H21N3O2/c1-27-19-15-9-14-18(20(19)28-2)23-25-21(16-10-5-3-6-11-16)24-22(26-23)17-12-7-4-8-13-17/h3-15,23H,1-2H3,(H,24,25,26)
InChIKeyJOUHGSBMZDYTAW-UHFFFAOYSA-N
XLogP4.20
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethoxyphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-(2,3-dimethoxyphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine (CID 102229188) is 4-(2,3-dimethoxyphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-(2,3-dimethoxyphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-(2,3-dimethoxyphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine is COc1cccc(C2N=C(c3ccccc3)NC(c3ccccc3)=N2)c1OC.
What is the InChIKey of 4-(2,3-dimethoxyphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is JOUHGSBMZDYTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-27-19-15-9-14-18(20(19)28-2)23-25-21(16-10-5-3-6-11-16)24-22(26-23)17-12-7-4-8-13-17/h3-15,23H,1-2H3,(H,24,25,26).
What are the key properties of 4-(2,3-dimethoxyphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
4-(2,3-dimethoxyphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 371.44 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethoxyphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 102229188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).