2-[4-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine

C46H19F17N6 — CID 146605299

IUPAC2-[4-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(-c3c(F)c(F)c(-c4c(F)c(F)c(-c5nc(-c6ccc(C(F)(F)F)cc6)nc(-c6ccc(C(F)(F)F)cc6)n5)c(F)c4F)c(F)c3F)n2)cc1
InChIInChI=1S/C46H19F17N6/c1-18-2-4-19(5-3-18)38-64-39(20-6-12-23(13-7-20)44(55,56)57)67-42(66-38)28-34(51)30(47)26(31(48)35(28)52)27-32(49)36(53)29(37(54)33(27)50)43-68-40(21-8-14-24(15-9-21)45(58,59)60)65-41(69-43)22-10-16-25(17-11-22)46(61,62)63/h2-17H,1H3
InChIKeyWKDJHCTZFGKHES-UHFFFAOYSA-N
MW978.67 g/mol
LogP14.20
Rot. Bonds7

About 2-[4-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine

2-[4-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine (PubChem CID 146605299) has the molecular formula C46H19F17N6 and a molecular weight of 978.67 g/mol. Its IUPAC name is 2-[4-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine
PubChem CID146605299
Molecular FormulaC46H19F17N6
Molecular Weight978.67 g/mol
Exact Mass978.14
IUPAC Name2-[4-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(-c3c(F)c(F)c(-c4c(F)c(F)c(-c5nc(-c6ccc(C(F)(F)F)cc6)nc(-c6ccc(C(F)(F)F)cc6)n5)c(F)c4F)c(F)c3F)n2)cc1
InChIInChI=1S/C46H19F17N6/c1-18-2-4-19(5-3-18)38-64-39(20-6-12-23(13-7-20)44(55,56)57)67-42(66-38)28-34(51)30(47)26(31(48)35(28)52)27-32(49)36(53)29(37(54)33(27)50)43-68-40(21-8-14-24(15-9-21)45(58,59)60)65-41(69-43)22-10-16-25(17-11-22)46(61,62)63/h2-17H,1H3
InChIKeyWKDJHCTZFGKHES-UHFFFAOYSA-N
XLogP14.20
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500978.67
LogP ≤ 514.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-[4-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-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-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-[4-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine (CID 146605299) is 2-[4-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-[4-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-[4-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine is Cc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(-c3c(F)c(F)c(-c4c(F)c(F)c(-c5nc(-c6ccc(C(F)(F)F)cc6)nc(-c6ccc(C(F)(F)F)cc6)n5)c(F)c4F)c(F)c3F)n2)cc1.
What is the InChIKey of 2-[4-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine?
The InChIKey is WKDJHCTZFGKHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H19F17N6/c1-18-2-4-19(5-3-18)38-64-39(20-6-12-23(13-7-20)44(55,56)57)67-42(66-38)28-34(51)30(47)26(31(48)35(28)52)27-32(49)36(53)29(37(54)33(27)50)43-68-40(21-8-14-24(15-9-21)45(58,59)60)65-41(69-43)22-10-16-25(17-11-22)46(61,62)63/h2-17H,1H3.
What are the key properties of 2-[4-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine?
2-[4-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine has a molecular weight of 978.67 g/mol, XLogP of 14.20, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 146605299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).