4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenol

C21H17N3O — CID 699671

IUPAC4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenol
SMILESOc1ccc(C2N=C(c3ccccc3)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C21H17N3O/c25-18-13-11-17(12-14-18)21-23-19(15-7-3-1-4-8-15)22-20(24-21)16-9-5-2-6-10-16/h1-14,21,25H,(H,22,23,24)
InChIKeyIMZUDHOIMQSWBU-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.89
Rot. Bonds3

About 4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenol

4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenol (PubChem CID 699671) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenol.

Molecular Properties

Compound Name4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenol
PubChem CID699671
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenol
SMILESOc1ccc(C2N=C(c3ccccc3)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C21H17N3O/c25-18-13-11-17(12-14-18)21-23-19(15-7-3-1-4-8-15)22-20(24-21)16-9-5-2-6-10-16/h1-14,21,25H,(H,22,23,24)
InChIKeyIMZUDHOIMQSWBU-UHFFFAOYSA-N
XLogP3.89
TPSA56.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenol?
The IUPAC name of 4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenol (CID 699671) is 4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenol.
What is the SMILES notation for 4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenol?
The canonical SMILES for 4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenol is Oc1ccc(C2N=C(c3ccccc3)NC(c3ccccc3)=N2)cc1.
What is the InChIKey of 4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenol?
The InChIKey is IMZUDHOIMQSWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c25-18-13-11-17(12-14-18)21-23-19(15-7-3-1-4-8-15)22-20(24-21)16-9-5-2-6-10-16/h1-14,21,25H,(H,22,23,24).
What are the key properties of 4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenol?
4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenol has a molecular weight of 327.39 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenol is sourced from PubChem (CID 699671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).