2-N,4-N-bis(4-chlorophenyl)-6-phenoxy-1,3,5-triazine-2,4-diamine

C21H15Cl2N5O — CID 3129773

IUPAC2-N,4-N-bis(4-chlorophenyl)-6-phenoxy-1,3,5-triazine-2,4-diamine
SMILESClc1ccc(Nc2nc(Nc3ccc(Cl)cc3)nc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C21H15Cl2N5O/c22-14-6-10-16(11-7-14)24-19-26-20(25-17-12-8-15(23)9-13-17)28-21(27-19)29-18-4-2-1-3-5-18/h1-13H,(H2,24,25,26,27,28)
InChIKeyCVTVXWIBRFALJN-UHFFFAOYSA-N
MW424.29 g/mol
LogP6.46
Rot. Bonds6

About 2-N,4-N-bis(4-chlorophenyl)-6-phenoxy-1,3,5-triazine-2,4-diamine

2-N,4-N-bis(4-chlorophenyl)-6-phenoxy-1,3,5-triazine-2,4-diamine (PubChem CID 3129773) has the molecular formula C21H15Cl2N5O and a molecular weight of 424.29 g/mol. Its IUPAC name is 2-N,4-N-bis(4-chlorophenyl)-6-phenoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(4-chlorophenyl)-6-phenoxy-1,3,5-triazine-2,4-diamine
PubChem CID3129773
Molecular FormulaC21H15Cl2N5O
Molecular Weight424.29 g/mol
Exact Mass423.07
IUPAC Name2-N,4-N-bis(4-chlorophenyl)-6-phenoxy-1,3,5-triazine-2,4-diamine
SMILESClc1ccc(Nc2nc(Nc3ccc(Cl)cc3)nc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C21H15Cl2N5O/c22-14-6-10-16(11-7-14)24-19-26-20(25-17-12-8-15(23)9-13-17)28-21(27-19)29-18-4-2-1-3-5-18/h1-13H,(H2,24,25,26,27,28)
InChIKeyCVTVXWIBRFALJN-UHFFFAOYSA-N
XLogP6.46
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.29
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N,4-N-bis(4-chlorophenyl)-6-phenoxy-1,3,5-triazine-2,4-diamine 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-N,4-N-bis(4-chlorophenyl)-6-phenoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(4-chlorophenyl)-6-phenoxy-1,3,5-triazine-2,4-diamine (CID 3129773) is 2-N,4-N-bis(4-chlorophenyl)-6-phenoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(4-chlorophenyl)-6-phenoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(4-chlorophenyl)-6-phenoxy-1,3,5-triazine-2,4-diamine is Clc1ccc(Nc2nc(Nc3ccc(Cl)cc3)nc(Oc3ccccc3)n2)cc1.
What is the InChIKey of 2-N,4-N-bis(4-chlorophenyl)-6-phenoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is CVTVXWIBRFALJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N5O/c22-14-6-10-16(11-7-14)24-19-26-20(25-17-12-8-15(23)9-13-17)28-21(27-19)29-18-4-2-1-3-5-18/h1-13H,(H2,24,25,26,27,28).
What are the key properties of 2-N,4-N-bis(4-chlorophenyl)-6-phenoxy-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis(4-chlorophenyl)-6-phenoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 424.29 g/mol, XLogP of 6.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(4-chlorophenyl)-6-phenoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3129773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).