2-(4-chloro-2-fluorophenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine

C33H21ClFN3 — CID 174245713

IUPAC2-(4-chloro-2-fluorophenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESFc1cc(Cl)ccc1-c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C33H21ClFN3/c34-28-19-20-29(30(35)21-28)33-37-31(26-15-11-24(12-16-26)22-7-3-1-4-8-22)36-32(38-33)27-17-13-25(14-18-27)23-9-5-2-6-10-23/h1-21H
InChIKeyDKERBAFKPYXTIP-UHFFFAOYSA-N
MW514.00 g/mol
LogP9.00
Rot. Bonds5

About 2-(4-chloro-2-fluorophenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine

2-(4-chloro-2-fluorophenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine (PubChem CID 174245713) has the molecular formula C33H21ClFN3 and a molecular weight of 514.00 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
PubChem CID174245713
Molecular FormulaC33H21ClFN3
Molecular Weight514.00 g/mol
Exact Mass513.14
IUPAC Name2-(4-chloro-2-fluorophenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESFc1cc(Cl)ccc1-c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C33H21ClFN3/c34-28-19-20-29(30(35)21-28)33-37-31(26-15-11-24(12-16-26)22-7-3-1-4-8-22)36-32(38-33)27-17-13-25(14-18-27)23-9-5-2-6-10-23/h1-21H
InChIKeyDKERBAFKPYXTIP-UHFFFAOYSA-N
XLogP9.00
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.00
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-2-fluorophenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine (CID 174245713) is 2-(4-chloro-2-fluorophenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine is Fc1cc(Cl)ccc1-c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is DKERBAFKPYXTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21ClFN3/c34-28-19-20-29(30(35)21-28)33-37-31(26-15-11-24(12-16-26)22-7-3-1-4-8-22)36-32(38-33)27-17-13-25(14-18-27)23-9-5-2-6-10-23/h1-21H.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
2-(4-chloro-2-fluorophenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 514.00 g/mol, XLogP of 9.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 174245713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).