1-methyl-4,6-diphenyl-2,2-bis(trifluoromethyl)-1,3,5-triazine

C18H13F6N3 — CID 12520993

IUPAC1-methyl-4,6-diphenyl-2,2-bis(trifluoromethyl)-1,3,5-triazine
SMILESCN1C(c2ccccc2)=NC(c2ccccc2)=NC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H13F6N3/c1-27-15(13-10-6-3-7-11-13)25-14(12-8-4-2-5-9-12)26-16(27,17(19,20)21)18(22,23)24/h2-11H,1H3
InChIKeyHSJNXFQOYJHAMC-UHFFFAOYSA-N
MW385.31 g/mol
LogP4.65
Rot. Bonds2

About 1-methyl-4,6-diphenyl-2,2-bis(trifluoromethyl)-1,3,5-triazine

1-methyl-4,6-diphenyl-2,2-bis(trifluoromethyl)-1,3,5-triazine (PubChem CID 12520993) has the molecular formula C18H13F6N3 and a molecular weight of 385.31 g/mol. Its IUPAC name is 1-methyl-4,6-diphenyl-2,2-bis(trifluoromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name1-methyl-4,6-diphenyl-2,2-bis(trifluoromethyl)-1,3,5-triazine
PubChem CID12520993
Molecular FormulaC18H13F6N3
Molecular Weight385.31 g/mol
Exact Mass385.10
IUPAC Name1-methyl-4,6-diphenyl-2,2-bis(trifluoromethyl)-1,3,5-triazine
SMILESCN1C(c2ccccc2)=NC(c2ccccc2)=NC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H13F6N3/c1-27-15(13-10-6-3-7-11-13)25-14(12-8-4-2-5-9-12)26-16(27,17(19,20)21)18(22,23)24/h2-11H,1H3
InChIKeyHSJNXFQOYJHAMC-UHFFFAOYSA-N
XLogP4.65
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.31
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-diphenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine
CID 569130
7-Chloro-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 574594
4-phenyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 921190
1-Benzyl-2-phenyl-4,5-dihydroimidazole
CID 11207103
1,3-dimethyl-2-phenyl-5,6-dihydro-4H-pyrimidin-1-ium tetrafluoroborate
CID 499195
4-(2-Methylphenyl)-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 556114
4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 556116
4-(4-fluorophenyl)-7-methyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 564217
4-(4-fluorophenyl)-9-methyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 564218
4-(4-fluorophenyl)-6-methyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 564340
6-methyl-4-phenyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 1046750
7,9-dichloro-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 1716778

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,6-diphenyl-2,2-bis(trifluoromethyl)-1,3,5-triazine?
The IUPAC name of 1-methyl-4,6-diphenyl-2,2-bis(trifluoromethyl)-1,3,5-triazine (CID 12520993) is 1-methyl-4,6-diphenyl-2,2-bis(trifluoromethyl)-1,3,5-triazine.
What is the SMILES notation for 1-methyl-4,6-diphenyl-2,2-bis(trifluoromethyl)-1,3,5-triazine?
The canonical SMILES for 1-methyl-4,6-diphenyl-2,2-bis(trifluoromethyl)-1,3,5-triazine is CN1C(c2ccccc2)=NC(c2ccccc2)=NC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-methyl-4,6-diphenyl-2,2-bis(trifluoromethyl)-1,3,5-triazine?
The InChIKey is HSJNXFQOYJHAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F6N3/c1-27-15(13-10-6-3-7-11-13)25-14(12-8-4-2-5-9-12)26-16(27,17(19,20)21)18(22,23)24/h2-11H,1H3.
What are the key properties of 1-methyl-4,6-diphenyl-2,2-bis(trifluoromethyl)-1,3,5-triazine?
1-methyl-4,6-diphenyl-2,2-bis(trifluoromethyl)-1,3,5-triazine has a molecular weight of 385.31 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,6-diphenyl-2,2-bis(trifluoromethyl)-1,3,5-triazine is sourced from PubChem (CID 12520993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).