5-(4-methylphenyl)-4,6-diphenyltriazine

C22H17N3 — CID 13483660

IUPAC5-(4-methylphenyl)-4,6-diphenyltriazine
SMILESCc1ccc(-c2c(-c3ccccc3)nnnc2-c2ccccc2)cc1
InChIInChI=1S/C22H17N3/c1-16-12-14-17(15-13-16)20-21(18-8-4-2-5-9-18)23-25-24-22(20)19-10-6-3-7-11-19/h2-15H,1H3
InChIKeyDYRUYANPDGWOCV-UHFFFAOYSA-N
MW323.40 g/mol
LogP5.18
Rot. Bonds3

About 5-(4-methylphenyl)-4,6-diphenyltriazine

5-(4-methylphenyl)-4,6-diphenyltriazine (PubChem CID 13483660) has the molecular formula C22H17N3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-(4-methylphenyl)-4,6-diphenyltriazine.

Molecular Properties

Compound Name5-(4-methylphenyl)-4,6-diphenyltriazine
PubChem CID13483660
Molecular FormulaC22H17N3
Molecular Weight323.40 g/mol
Exact Mass323.14
IUPAC Name5-(4-methylphenyl)-4,6-diphenyltriazine
SMILESCc1ccc(-c2c(-c3ccccc3)nnnc2-c2ccccc2)cc1
InChIInChI=1S/C22H17N3/c1-16-12-14-17(15-13-16)20-21(18-8-4-2-5-9-18)23-25-24-22(20)19-10-6-3-7-11-19/h2-15H,1H3
InChIKeyDYRUYANPDGWOCV-UHFFFAOYSA-N
XLogP5.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-4,6-diphenyltriazine?
The IUPAC name of 5-(4-methylphenyl)-4,6-diphenyltriazine (CID 13483660) is 5-(4-methylphenyl)-4,6-diphenyltriazine.
What is the SMILES notation for 5-(4-methylphenyl)-4,6-diphenyltriazine?
The canonical SMILES for 5-(4-methylphenyl)-4,6-diphenyltriazine is Cc1ccc(-c2c(-c3ccccc3)nnnc2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-4,6-diphenyltriazine?
The InChIKey is DYRUYANPDGWOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3/c1-16-12-14-17(15-13-16)20-21(18-8-4-2-5-9-18)23-25-24-22(20)19-10-6-3-7-11-19/h2-15H,1H3.
What are the key properties of 5-(4-methylphenyl)-4,6-diphenyltriazine?
5-(4-methylphenyl)-4,6-diphenyltriazine has a molecular weight of 323.40 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-4,6-diphenyltriazine is sourced from PubChem (CID 13483660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).