2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]phenol

C25H23N3O — CID 135671150

IUPAC2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]phenol
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccccc3O)n2)c(C)c1
InChIInChI=1S/C25H23N3O/c1-15-9-11-19(17(3)13-15)23-26-24(20-12-10-16(2)14-18(20)4)28-25(27-23)21-7-5-6-8-22(21)29/h5-14,29H,1-4H3
InChIKeyLSURWFZZCCABSQ-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.81
Rot. Bonds3

About 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]phenol

2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]phenol (PubChem CID 135671150) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Name2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]phenol
PubChem CID135671150
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]phenol
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccccc3O)n2)c(C)c1
InChIInChI=1S/C25H23N3O/c1-15-9-11-19(17(3)13-15)23-26-24(20-12-10-16(2)14-18(20)4)28-25(27-23)21-7-5-6-8-22(21)29/h5-14,29H,1-4H3
InChIKeyLSURWFZZCCABSQ-UHFFFAOYSA-N
XLogP5.81
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]phenol?
The IUPAC name of 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]phenol (CID 135671150) is 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]phenol is Cc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccccc3O)n2)c(C)c1.
What is the InChIKey of 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]phenol?
The InChIKey is LSURWFZZCCABSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O/c1-15-9-11-19(17(3)13-15)23-26-24(20-12-10-16(2)14-18(20)4)28-25(27-23)21-7-5-6-8-22(21)29/h5-14,29H,1-4H3.
What are the key properties of 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]phenol?
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]phenol has a molecular weight of 381.48 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 135671150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).