2,4-bis(4-methylphenyl)-6-phenylmethoxy-1,3,5-triazine

C24H21N3O — CID 1095096

IUPAC2,4-bis(4-methylphenyl)-6-phenylmethoxy-1,3,5-triazine
SMILESCc1ccc(-c2nc(OCc3ccccc3)nc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C24H21N3O/c1-17-8-12-20(13-9-17)22-25-23(21-14-10-18(2)11-15-21)27-24(26-22)28-16-19-6-4-3-5-7-19/h3-15H,16H2,1-2H3
InChIKeyFJXQKXMIOILHNG-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.40
Rot. Bonds5

About 2,4-bis(4-methylphenyl)-6-phenylmethoxy-1,3,5-triazine

2,4-bis(4-methylphenyl)-6-phenylmethoxy-1,3,5-triazine (PubChem CID 1095096) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 2,4-bis(4-methylphenyl)-6-phenylmethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-methylphenyl)-6-phenylmethoxy-1,3,5-triazine
PubChem CID1095096
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name2,4-bis(4-methylphenyl)-6-phenylmethoxy-1,3,5-triazine
SMILESCc1ccc(-c2nc(OCc3ccccc3)nc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C24H21N3O/c1-17-8-12-20(13-9-17)22-25-23(21-14-10-18(2)11-15-21)27-24(26-22)28-16-19-6-4-3-5-7-19/h3-15H,16H2,1-2H3
InChIKeyFJXQKXMIOILHNG-UHFFFAOYSA-N
XLogP5.40
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-methylphenyl)-6-phenylmethoxy-1,3,5-triazine?
The IUPAC name of 2,4-bis(4-methylphenyl)-6-phenylmethoxy-1,3,5-triazine (CID 1095096) is 2,4-bis(4-methylphenyl)-6-phenylmethoxy-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4-methylphenyl)-6-phenylmethoxy-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4-methylphenyl)-6-phenylmethoxy-1,3,5-triazine is Cc1ccc(-c2nc(OCc3ccccc3)nc(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of 2,4-bis(4-methylphenyl)-6-phenylmethoxy-1,3,5-triazine?
The InChIKey is FJXQKXMIOILHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-17-8-12-20(13-9-17)22-25-23(21-14-10-18(2)11-15-21)27-24(26-22)28-16-19-6-4-3-5-7-19/h3-15H,16H2,1-2H3.
What are the key properties of 2,4-bis(4-methylphenyl)-6-phenylmethoxy-1,3,5-triazine?
2,4-bis(4-methylphenyl)-6-phenylmethoxy-1,3,5-triazine has a molecular weight of 367.45 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-methylphenyl)-6-phenylmethoxy-1,3,5-triazine is sourced from PubChem (CID 1095096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).