4,6-diphenoxy-N,N-dipyridin-2-yl-1,3,5-triazin-2-amine

C50H36N12O4 — CID 139160270

IUPAC4,6-diphenoxy-N,N-dipyridin-2-yl-1,3,5-triazin-2-amine
SMILESc1ccc(Oc2nc(Oc3ccccc3)nc(N(c3ccccn3)c3ccccn3)n2)cc1.c1ccc(Oc2nc(Oc3ccccc3)nc(N(c3ccccn3)c3ccccn3)n2)cc1
InChIInChI=1S/2C25H18N6O2/c2*1-3-11-19(12-4-1)32-24-28-23(29-25(30-24)33-20-13-5-2-6-14-20)31(21-15-7-9-17-26-21)22-16-8-10-18-27-22/h2*1-18H
InChIKeyQEZZFRAYGKCPLZ-UHFFFAOYSA-N
MW868.92 g/mol
LogP11.43
Rot. Bonds14

About 4,6-diphenoxy-N,N-dipyridin-2-yl-1,3,5-triazin-2-amine

4,6-diphenoxy-N,N-dipyridin-2-yl-1,3,5-triazin-2-amine (PubChem CID 139160270) has the molecular formula C50H36N12O4 and a molecular weight of 868.92 g/mol. Its IUPAC name is 4,6-diphenoxy-N,N-dipyridin-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-diphenoxy-N,N-dipyridin-2-yl-1,3,5-triazin-2-amine
PubChem CID139160270
Molecular FormulaC50H36N12O4
Molecular Weight868.92 g/mol
Exact Mass868.30
IUPAC Name4,6-diphenoxy-N,N-dipyridin-2-yl-1,3,5-triazin-2-amine
SMILESc1ccc(Oc2nc(Oc3ccccc3)nc(N(c3ccccn3)c3ccccn3)n2)cc1.c1ccc(Oc2nc(Oc3ccccc3)nc(N(c3ccccn3)c3ccccn3)n2)cc1
InChIInChI=1S/2C25H18N6O2/c2*1-3-11-19(12-4-1)32-24-28-23(29-25(30-24)33-20-13-5-2-6-14-20)31(21-15-7-9-17-26-21)22-16-8-10-18-27-22/h2*1-18H
InChIKeyQEZZFRAYGKCPLZ-UHFFFAOYSA-N
XLogP11.43
TPSA172.30 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500868.92
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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Frequently Asked Questions

What is the IUPAC name of 4,6-diphenoxy-N,N-dipyridin-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-diphenoxy-N,N-dipyridin-2-yl-1,3,5-triazin-2-amine (CID 139160270) is 4,6-diphenoxy-N,N-dipyridin-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-diphenoxy-N,N-dipyridin-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-diphenoxy-N,N-dipyridin-2-yl-1,3,5-triazin-2-amine is c1ccc(Oc2nc(Oc3ccccc3)nc(N(c3ccccn3)c3ccccn3)n2)cc1.c1ccc(Oc2nc(Oc3ccccc3)nc(N(c3ccccn3)c3ccccn3)n2)cc1.
What is the InChIKey of 4,6-diphenoxy-N,N-dipyridin-2-yl-1,3,5-triazin-2-amine?
The InChIKey is QEZZFRAYGKCPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H18N6O2/c2*1-3-11-19(12-4-1)32-24-28-23(29-25(30-24)33-20-13-5-2-6-14-20)31(21-15-7-9-17-26-21)22-16-8-10-18-27-22/h2*1-18H.
What are the key properties of 4,6-diphenoxy-N,N-dipyridin-2-yl-1,3,5-triazin-2-amine?
4,6-diphenoxy-N,N-dipyridin-2-yl-1,3,5-triazin-2-amine has a molecular weight of 868.92 g/mol, XLogP of 11.43, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenoxy-N,N-dipyridin-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 139160270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).