4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol

C23H19N3O4 — CID 135532479

IUPAC4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
SMILESCOc1ccc(-c2nc(-c3ccc(OC)cc3)nc(-c3ccc(O)cc3O)n2)cc1
InChIInChI=1S/C23H19N3O4/c1-29-17-8-3-14(4-9-17)21-24-22(15-5-10-18(30-2)11-6-15)26-23(25-21)19-12-7-16(27)13-20(19)28/h3-13,27-28H,1-2H3
InChIKeySSDXBORTFMZZEH-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.30
Rot. Bonds5

About 4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol

4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol (PubChem CID 135532479) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is 4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
PubChem CID135532479
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Name4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
SMILESCOc1ccc(-c2nc(-c3ccc(OC)cc3)nc(-c3ccc(O)cc3O)n2)cc1
InChIInChI=1S/C23H19N3O4/c1-29-17-8-3-14(4-9-17)21-24-22(15-5-10-18(30-2)11-6-15)26-23(25-21)19-12-7-16(27)13-20(19)28/h3-13,27-28H,1-2H3
InChIKeySSDXBORTFMZZEH-UHFFFAOYSA-N
XLogP4.30
TPSA97.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol?
The IUPAC name of 4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol (CID 135532479) is 4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol?
The canonical SMILES for 4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol is COc1ccc(-c2nc(-c3ccc(OC)cc3)nc(-c3ccc(O)cc3O)n2)cc1.
What is the InChIKey of 4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol?
The InChIKey is SSDXBORTFMZZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-29-17-8-3-14(4-9-17)21-24-22(15-5-10-18(30-2)11-6-15)26-23(25-21)19-12-7-16(27)13-20(19)28/h3-13,27-28H,1-2H3.
What are the key properties of 4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol?
4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol has a molecular weight of 401.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol is sourced from PubChem (CID 135532479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).