2,4,6-tris(4-phenylmethoxybutoxy)-1,3,5-triazine

C36H45N3O6 — CID 139880669

IUPAC2,4,6-tris(4-phenylmethoxybutoxy)-1,3,5-triazine
SMILESc1ccc(COCCCCOc2nc(OCCCCOCc3ccccc3)nc(OCCCCOCc3ccccc3)n2)cc1
InChIInChI=1S/C36H45N3O6/c1-4-16-31(17-5-1)28-40-22-10-13-25-43-34-37-35(44-26-14-11-23-41-29-32-18-6-2-7-19-32)39-36(38-34)45-27-15-12-24-42-30-33-20-8-3-9-21-33/h1-9,16-21H,10-15,22-30H2
InChIKeyOIFKVZCLXWDUCM-UHFFFAOYSA-N
MW615.77 g/mol
LogP7.00
Rot. Bonds24

About 2,4,6-tris(4-phenylmethoxybutoxy)-1,3,5-triazine

2,4,6-tris(4-phenylmethoxybutoxy)-1,3,5-triazine (PubChem CID 139880669) has the molecular formula C36H45N3O6 and a molecular weight of 615.77 g/mol. Its IUPAC name is 2,4,6-tris(4-phenylmethoxybutoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(4-phenylmethoxybutoxy)-1,3,5-triazine
PubChem CID139880669
Molecular FormulaC36H45N3O6
Molecular Weight615.77 g/mol
Exact Mass615.33
IUPAC Name2,4,6-tris(4-phenylmethoxybutoxy)-1,3,5-triazine
SMILESc1ccc(COCCCCOc2nc(OCCCCOCc3ccccc3)nc(OCCCCOCc3ccccc3)n2)cc1
InChIInChI=1S/C36H45N3O6/c1-4-16-31(17-5-1)28-40-22-10-13-25-43-34-37-35(44-26-14-11-23-41-29-32-18-6-2-7-19-32)39-36(38-34)45-27-15-12-24-42-30-33-20-8-3-9-21-33/h1-9,16-21H,10-15,22-30H2
InChIKeyOIFKVZCLXWDUCM-UHFFFAOYSA-N
XLogP7.00
TPSA94.05 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds24
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.77
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,4,6-tris(4-phenylmethoxybutoxy)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
1,3,5-tris[5-[3,5-bis[5-[3,5-bis(5-phenylmethoxypentoxy)phenoxy]pentoxy]phenoxy]pentoxy]benzene
CID 134929469
2-(4-phenylmethoxybutoxy)pyridine
CID 23045271
5-bromopentoxymethylbenzene;1,5-dibromopentane
CID 161240377
15-bromopentadecoxymethylbenzene
CID 11338468
trimethyl(11-phenylmethoxyundecyl)silane
CID 20775242
1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
CID 101026265
20-phenylmethoxyicos-10-enoxymethylbenzene
CID 54404919
5-(5-phenylmethoxypentoxy)pentan-1-ol
CID 155584786
tribromo(3-phenylmethoxypropyl)silane
CID 66954985
tris(8-phenylmethoxyoctyl)borane
CID 102473578
azane;hexoxymethylbenzene
CID 174805489

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(4-phenylmethoxybutoxy)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(4-phenylmethoxybutoxy)-1,3,5-triazine (CID 139880669) is 2,4,6-tris(4-phenylmethoxybutoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(4-phenylmethoxybutoxy)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(4-phenylmethoxybutoxy)-1,3,5-triazine is c1ccc(COCCCCOc2nc(OCCCCOCc3ccccc3)nc(OCCCCOCc3ccccc3)n2)cc1.
What is the InChIKey of 2,4,6-tris(4-phenylmethoxybutoxy)-1,3,5-triazine?
The InChIKey is OIFKVZCLXWDUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45N3O6/c1-4-16-31(17-5-1)28-40-22-10-13-25-43-34-37-35(44-26-14-11-23-41-29-32-18-6-2-7-19-32)39-36(38-34)45-27-15-12-24-42-30-33-20-8-3-9-21-33/h1-9,16-21H,10-15,22-30H2.
What are the key properties of 2,4,6-tris(4-phenylmethoxybutoxy)-1,3,5-triazine?
2,4,6-tris(4-phenylmethoxybutoxy)-1,3,5-triazine has a molecular weight of 615.77 g/mol, XLogP of 7.00, 24 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(4-phenylmethoxybutoxy)-1,3,5-triazine is sourced from PubChem (CID 139880669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).