6-chloro-1-iodo-2,4-diphenyl-2H-1,3,5-triazine

C15H11ClIN3 — CID 90267623

IUPAC6-chloro-1-iodo-2,4-diphenyl-2H-1,3,5-triazine
SMILESClC1=NC(c2ccccc2)=NC(c2ccccc2)N1I
InChIInChI=1S/C15H11ClIN3/c16-15-19-13(11-7-3-1-4-8-11)18-14(20(15)17)12-9-5-2-6-10-12/h1-10,14H
InChIKeySNSPXGWIJCAFPG-UHFFFAOYSA-N
MW395.63 g/mol
LogP4.39
Rot. Bonds2

About 6-chloro-1-iodo-2,4-diphenyl-2H-1,3,5-triazine

6-chloro-1-iodo-2,4-diphenyl-2H-1,3,5-triazine (PubChem CID 90267623) has the molecular formula C15H11ClIN3 and a molecular weight of 395.63 g/mol. Its IUPAC name is 6-chloro-1-iodo-2,4-diphenyl-2H-1,3,5-triazine.

Molecular Properties

Compound Name6-chloro-1-iodo-2,4-diphenyl-2H-1,3,5-triazine
PubChem CID90267623
Molecular FormulaC15H11ClIN3
Molecular Weight395.63 g/mol
Exact Mass394.97
IUPAC Name6-chloro-1-iodo-2,4-diphenyl-2H-1,3,5-triazine
SMILESClC1=NC(c2ccccc2)=NC(c2ccccc2)N1I
InChIInChI=1S/C15H11ClIN3/c16-15-19-13(11-7-3-1-4-8-11)18-14(20(15)17)12-9-5-2-6-10-12/h1-10,14H
InChIKeySNSPXGWIJCAFPG-UHFFFAOYSA-N
XLogP4.39
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.63
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-iodo-2,4-diphenyl-2H-1,3,5-triazine?
The IUPAC name of 6-chloro-1-iodo-2,4-diphenyl-2H-1,3,5-triazine (CID 90267623) is 6-chloro-1-iodo-2,4-diphenyl-2H-1,3,5-triazine.
What is the SMILES notation for 6-chloro-1-iodo-2,4-diphenyl-2H-1,3,5-triazine?
The canonical SMILES for 6-chloro-1-iodo-2,4-diphenyl-2H-1,3,5-triazine is ClC1=NC(c2ccccc2)=NC(c2ccccc2)N1I.
What is the InChIKey of 6-chloro-1-iodo-2,4-diphenyl-2H-1,3,5-triazine?
The InChIKey is SNSPXGWIJCAFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClIN3/c16-15-19-13(11-7-3-1-4-8-11)18-14(20(15)17)12-9-5-2-6-10-12/h1-10,14H.
What are the key properties of 6-chloro-1-iodo-2,4-diphenyl-2H-1,3,5-triazine?
6-chloro-1-iodo-2,4-diphenyl-2H-1,3,5-triazine has a molecular weight of 395.63 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-iodo-2,4-diphenyl-2H-1,3,5-triazine is sourced from PubChem (CID 90267623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).