4-N-[(2,4-dichlorophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine

C24H17Cl2F3N6O — CID 2826843

IUPAC4-N-[(2,4-dichlorophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
SMILESFC(F)(F)COc1nc(NN=Cc2ccc(Cl)cc2Cl)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C24H17Cl2F3N6O/c25-17-12-11-16(20(26)13-17)14-30-34-21-31-22(33-23(32-21)36-15-24(27,28)29)35(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15H2,(H,31,32,33,34)
InChIKeyBLHNJKRTYDZXMC-UHFFFAOYSA-N
MW533.34 g/mol
LogP7.04
Rot. Bonds8

About 4-N-[(2,4-dichlorophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine

4-N-[(2,4-dichlorophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 2826843) has the molecular formula C24H17Cl2F3N6O and a molecular weight of 533.34 g/mol. Its IUPAC name is 4-N-[(2,4-dichlorophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2,4-dichlorophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
PubChem CID2826843
Molecular FormulaC24H17Cl2F3N6O
Molecular Weight533.34 g/mol
Exact Mass532.08
IUPAC Name4-N-[(2,4-dichlorophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
SMILESFC(F)(F)COc1nc(NN=Cc2ccc(Cl)cc2Cl)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C24H17Cl2F3N6O/c25-17-12-11-16(20(26)13-17)14-30-34-21-31-22(33-23(32-21)36-15-24(27,28)29)35(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15H2,(H,31,32,33,34)
InChIKeyBLHNJKRTYDZXMC-UHFFFAOYSA-N
XLogP7.04
TPSA75.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.34
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,4-dichlorophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[(2,4-dichlorophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine (CID 2826843) is 4-N-[(2,4-dichlorophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[(2,4-dichlorophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[(2,4-dichlorophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is FC(F)(F)COc1nc(NN=Cc2ccc(Cl)cc2Cl)nc(N(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 4-N-[(2,4-dichlorophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is BLHNJKRTYDZXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2F3N6O/c25-17-12-11-16(20(26)13-17)14-30-34-21-31-22(33-23(32-21)36-15-24(27,28)29)35(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15H2,(H,31,32,33,34).
What are the key properties of 4-N-[(2,4-dichlorophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
4-N-[(2,4-dichlorophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 533.34 g/mol, XLogP of 7.04, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2,4-dichlorophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2826843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).