2,4-bis(2,4-dimethylphenyl)-6-propan-2-yl-1,3,5-triazine

C22H25N3 — CID 126550804

IUPAC2,4-bis(2,4-dimethylphenyl)-6-propan-2-yl-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3C)nc(C(C)C)n2)c(C)c1
InChIInChI=1S/C22H25N3/c1-13(2)20-23-21(18-9-7-14(3)11-16(18)5)25-22(24-20)19-10-8-15(4)12-17(19)6/h7-13H,1-6H3
InChIKeyPXTFZVVXYGQIGZ-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.56
Rot. Bonds3

About 2,4-bis(2,4-dimethylphenyl)-6-propan-2-yl-1,3,5-triazine

2,4-bis(2,4-dimethylphenyl)-6-propan-2-yl-1,3,5-triazine (PubChem CID 126550804) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2,4-bis(2,4-dimethylphenyl)-6-propan-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(2,4-dimethylphenyl)-6-propan-2-yl-1,3,5-triazine
PubChem CID126550804
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC Name2,4-bis(2,4-dimethylphenyl)-6-propan-2-yl-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3C)nc(C(C)C)n2)c(C)c1
InChIInChI=1S/C22H25N3/c1-13(2)20-23-21(18-9-7-14(3)11-16(18)5)25-22(24-20)19-10-8-15(4)12-17(19)6/h7-13H,1-6H3
InChIKeyPXTFZVVXYGQIGZ-UHFFFAOYSA-N
XLogP5.56
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2,4-dimethylphenyl)-6-propan-2-yl-1,3,5-triazine?
The IUPAC name of 2,4-bis(2,4-dimethylphenyl)-6-propan-2-yl-1,3,5-triazine (CID 126550804) is 2,4-bis(2,4-dimethylphenyl)-6-propan-2-yl-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(2,4-dimethylphenyl)-6-propan-2-yl-1,3,5-triazine?
The canonical SMILES for 2,4-bis(2,4-dimethylphenyl)-6-propan-2-yl-1,3,5-triazine is Cc1ccc(-c2nc(-c3ccc(C)cc3C)nc(C(C)C)n2)c(C)c1.
What is the InChIKey of 2,4-bis(2,4-dimethylphenyl)-6-propan-2-yl-1,3,5-triazine?
The InChIKey is PXTFZVVXYGQIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-13(2)20-23-21(18-9-7-14(3)11-16(18)5)25-22(24-20)19-10-8-15(4)12-17(19)6/h7-13H,1-6H3.
What are the key properties of 2,4-bis(2,4-dimethylphenyl)-6-propan-2-yl-1,3,5-triazine?
2,4-bis(2,4-dimethylphenyl)-6-propan-2-yl-1,3,5-triazine has a molecular weight of 331.46 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2,4-dimethylphenyl)-6-propan-2-yl-1,3,5-triazine is sourced from PubChem (CID 126550804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).