2,4,6-tridodecyl-1,3,5-triazine

C39H75N3 — CID 4643158

IUPAC2,4,6-tridodecyl-1,3,5-triazine
SMILESCCCCCCCCCCCCc1nc(CCCCCCCCCCCC)nc(CCCCCCCCCCCC)n1
InChIInChI=1S/C39H75N3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-38(35-32-29-26-23-20-17-14-11-8-5-2)42-39(41-37)36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3
InChIKeyNWPILRRXCUNYGW-UHFFFAOYSA-N
MW586.05 g/mol
LogP13.26
Rot. Bonds33

About 2,4,6-tridodecyl-1,3,5-triazine

2,4,6-tridodecyl-1,3,5-triazine (PubChem CID 4643158) has the molecular formula C39H75N3 and a molecular weight of 586.05 g/mol. Its IUPAC name is 2,4,6-tridodecyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tridodecyl-1,3,5-triazine
PubChem CID4643158
Molecular FormulaC39H75N3
Molecular Weight586.05 g/mol
Exact Mass585.60
IUPAC Name2,4,6-tridodecyl-1,3,5-triazine
SMILESCCCCCCCCCCCCc1nc(CCCCCCCCCCCC)nc(CCCCCCCCCCCC)n1
InChIInChI=1S/C39H75N3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-38(35-32-29-26-23-20-17-14-11-8-5-2)42-39(41-37)36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3
InChIKeyNWPILRRXCUNYGW-UHFFFAOYSA-N
XLogP13.26
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds33
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.05
LogP ≤ 513.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tridodecyl-1,3,5-triazine?
The IUPAC name of 2,4,6-tridodecyl-1,3,5-triazine (CID 4643158) is 2,4,6-tridodecyl-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tridodecyl-1,3,5-triazine?
The canonical SMILES for 2,4,6-tridodecyl-1,3,5-triazine is CCCCCCCCCCCCc1nc(CCCCCCCCCCCC)nc(CCCCCCCCCCCC)n1.
What is the InChIKey of 2,4,6-tridodecyl-1,3,5-triazine?
The InChIKey is NWPILRRXCUNYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H75N3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-38(35-32-29-26-23-20-17-14-11-8-5-2)42-39(41-37)36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3.
What are the key properties of 2,4,6-tridodecyl-1,3,5-triazine?
2,4,6-tridodecyl-1,3,5-triazine has a molecular weight of 586.05 g/mol, XLogP of 13.26, 33 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tridodecyl-1,3,5-triazine is sourced from PubChem (CID 4643158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).